[(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3r,4s,5r)-3-[[(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3r,4s,5r)-3-[[(2s,3s,4r,5s)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2s,3s,4r,5s)-3-[[(2s,3s,4r,5s)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2s,3s,4s,5s)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(2-amino-6-oxo-1h-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyloxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyloxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyloxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-[(2r,3r,4s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl]sulfanylphosphinic acid (CED0284356)

Record Information
Version1.0
Creation Date2026-08-30 15:26:29 UTC
Update Date2026-08-30 15:26:29 UTC
SynCED IDCED0284356
Secondary Accession Numbers
  • CHEM329770
Identification
Common Name[(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3r,4s,5r)-3-[[(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3r,4s,5r)-3-[[(2s,3s,4r,5s)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2s,3s,4r,5s)-3-[[(2s,3s,4r,5s)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2s,3s,4s,5s)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(2-amino-6-oxo-1h-purin-9-yl)-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyloxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyloxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyloxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-[(2r,3r,4s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl]sulfanylphosphinic acid
ClassSmall Molecule
Description
This compound has the chemical formula C230H324N67O122P19S19. With an average molecular weight of 7,177 g/mol, this compound is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC230H324N67O122P19S19
Average Molecular MassNot Available
Monoisotopic Mass7172.092 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)SC3CC(OC3COP(=O)(O)SC4CC(OC4COP(=O)(O)SC5CC(OC5COP(=O)(O)SC6CC(OC6COP(=O)(O)SC7CC(OC7COP(=O)(O)SC8CC(OC8COP(=O)(O)SC9CC(OC9COP(=O)(O)SC1C(OC(C1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)(O)SC1C(OC(C1OCCOC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)SC1C(OC(C1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)(O)SC1C(OC(C1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)(O)SC1C(OC(C1OCCOC)N1C=NC2=C1N=C(NC2=O)N)CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=NC1=O)N)C)SP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)SP(=O)(O)OCC1C(CC(O1)N1C=C(C(=NC1=O)N)C)SP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)SP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)SP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OCCOC)SP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)SP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)O
InChI IdentifierInChI=1S/C230H324N67O122P19S19/c1-97-55-278(217(309)256-177(97)231)141-45-131(112(400-141)70-381-422(327,328)442-136-50-146(283-66-108(12)196(302)275-228(283)320)406-118(136)76-387-427(337,338)448-140-54-150(294-93-253-154-191(294)266-214(243)270-200(154)306)409-120(140)78-389-428(339,340)446-138-52-148(292-91-250-151-186(240)246-89-248-188(151)292)407-121(138)79-390-430(343,344)450-169-124(413-204(160(169)373-37-27-363-17)286-59-101(5)181(235)260-221(286)313)83-394-435(353,354)455-174-128(417-209(165(174)378-42-32-368-22)291-68-110(14)198(304)277-230(291)322)87-396-434(351,352)453-172-126(415-207(163(172)376-40-30-366-20)289-62-104(8)184(238)263-224(289)316)85-395-433(349,350)452-171-123(412-206(162(171)375-39-29-365-19)288-61-103(7)183(237)262-223(288)315)82-393-432(347,348)449-168-111(69-298)410-211(159(168)372-36-26-362-16)296-95-254-155-192(296)267-215(244)271-201(155)307)439-420(323,324)384-74-117-137(51-147(405-117)284-67-109(13)197(303)276-229(284)321)444-425(333,334)388-77-119-139(53-149(408-119)293-92-252-153-190(293)265-213(242)269-199(153)305)447-426(335,336)386-71-113-132(46-142(401-113)279-56-98(2)178(232)257-218(279)310)440-421(325,326)383-73-115-135(49-145(403-115)282-65-107(11)195(301)274-227(282)319)443-424(331,332)385-75-116-134(48-144(404-116)281-64-106(10)194(300)273-226(281)318)441-423(329,330)382-72-114-133(47-143(402-114)280-57-99(3)179(233)258-219(280)311)445-429(341,342)392-81-129-176(167(380-44-34-370-24)212(419-129)297-96-255-156-193(297)268-216(245)272-202(156)308)457-438(359,360)398-86-127-173(164(377-41-31-367-21)208(416-127)290-63-105(9)185(239)264-225(290)317)454-436(355,356)399-88-130-175(166(379-43-33-369-23)210(418-130)295-94-251-152-187(241)247-90-249-189(152)295)456-437(357,358)397-84-125-170(161(374-38-28-364-18)205(414-125)287-60-102(6)182(236)261-222(287)314)451-431(345,346)391-80-122-157(299)158(371-35-25-361-15)203(411-122)285-58-100(4)180(234)259-220(285)312/h55-68,89-96,111-150,157-176,203-212,298-299H,25-54,69-88H2,1-24H3,(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H2,231,256,309)(H2,232,257,310)(H2,233,258,311)(H2,234,259,312)(H2,235,260,313)(H2,236,261,314)(H2,237,262,315)(H2,238,263,316)(H2,239,264,317)(H2,240,246,248)(H2,241,247,249)(H,273,300,318)(H,274,301,319)(H,275,302,320)(H,276,303,321)(H,277,304,322)(H3,242,265,269,305)(H3,243,266,270,306)(H3,244,267,271,307)(H3,245,268,272,308)/t111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123-,124-,125+,126-,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,157+,158+,159-,160-,161+,162-,163-,164+,165-,166+,167-,168-,169-,170+,171-,172-,173+,174-,175+,176-,203+,204-,205+,206-,207-,208+,209-,210+,211-,212-/m1/s1
InChI KeyTZRFSLHOCZEXCC-HIVFKXHNSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwareNot Available
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsNot Available
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Ribonuclease pancreatic structureClick to view 3D structureRibonuclease pancreaticP07998HumansPredicted (SEA)
Prediction Confidence Score
0.415
Applicability Domain
0.415
Statistical Significance
3.20e-04
Supporting Reference Compounds
1
E-value
2.49118
Non-secretory ribonuclease structureClick to view 3D structureNon-secretory ribonucleaseP10153HumansPredicted (SEA)
Prediction Confidence Score
0.415
Applicability Domain
0.415
Statistical Significance
3.20e-04
Supporting Reference Compounds
1
E-value
2.49118
Heat shock cognate 71 kDa protein structureClick to view 3D structureHeat shock cognate 71 kDa proteinP19120Bos taurusPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.362
Statistical Significance
0.0023
Supporting Reference Compounds
1
E-value
17.8275
Sensor protein kinase WalK structureClick to view 3D structureSensor protein kinase WalKQ9RDT3Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.362
Statistical Significance
0.0023
Supporting Reference Compounds
1
E-value
17.8275
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.375
Statistical Significance
0.0037
Supporting Reference Compounds
42
E-value
28.8821
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.364
Statistical Significance
0.0028
Supporting Reference Compounds
35
E-value
21.7978
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.375
Statistical Significance
0.0033
Supporting Reference Compounds
44
E-value
25.8459
Click to view 3D structureP2Y purinoceptor 1P49652Meleagris gallopavoPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.375
Statistical Significance
0.0028
Supporting Reference Compounds
19
E-value
21.4864
Click to view 3D structureP2Y purinoceptor 11Q96G91HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.364
Statistical Significance
0.0024
Supporting Reference Compounds
13
E-value
18.606
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.364
Statistical Significance
0.0032
Supporting Reference Compounds
51
E-value
24.9896
ADP-ribose glycohydrolase MACROD1 structureClick to view 3D structureADP-ribose glycohydrolase MACROD1Q9BQ69HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.356
Statistical Significance
0.0025
Supporting Reference Compounds
1
E-value
19.3066
ADP-ribose glycohydrolase MACROD2 structureClick to view 3D structureADP-ribose glycohydrolase MACROD2A1Z1Q3HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.356
Statistical Significance
0.0025
Supporting Reference Compounds
1
E-value
19.3066
Click to view 3D structureGTP:AMP phosphotransferase AK3, mitochondrialP29411Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.357
Statistical Significance
0.0023
Supporting Reference Compounds
2
E-value
17.9832
Click to view 3D structureP2Y purinoceptor 12Q9EPX4Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.362
Statistical Significance
0.0024
Supporting Reference Compounds
11
E-value
18.4503
Bifunctional ligase/repressor BirA structureClick to view 3D structureBifunctional ligase/repressor BirAP06709Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.343
Statistical Significance
9.90e-04
Supporting Reference Compounds
1
E-value
7.70707
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4Q99571HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.364
Statistical Significance
0.0024
Supporting Reference Compounds
32
E-value
18.8395
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 structureClick to view 3D structureEctonucleotide pyrophosphatase/phosphodiesterase family member 1P22413HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.362
Statistical Significance
0.0023
Supporting Reference Compounds
29
E-value
18.1389
Click to view 3D structureP2Y purinoceptor 1P49651Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.359
Statistical Significance
0.0025
Supporting Reference Compounds
9
E-value
19.8516
Click to view 3D structure2-5A-dependent ribonucleaseQ05921Mus musculusPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.381
Statistical Significance
0.0012
Supporting Reference Compounds
2
E-value
9.57545
Reverse transcriptase/RNaseH structureClick to view 3D structureReverse transcriptase/RNaseHQ72547Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.356
Statistical Significance
0.0027
Supporting Reference Compounds
79
E-value
21.3307
Click to view 3D structure6-phosphogluconate dehydrogenase, decarboxylatingP85968Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.338
Statistical Significance
7.70e-04
Supporting Reference Compounds
1
E-value
5.99439
Click to view 3D structureS-adenosylmethionine synthase isoform type-2P18298Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.336
Statistical Significance
0.0027
Supporting Reference Compounds
1
E-value
20.7079
Click to view 3D structureAdenylate kinase 2, mitochondrialP29410Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.357
Statistical Significance
0.0021
Supporting Reference Compounds
3
E-value
16.7376
Click to view 3D structureInosine-5'-monophosphate dehydrogenase 2P24547Mus musculusPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.331
Statistical Significance
0.0018
Supporting Reference Compounds
3
E-value
13.935
Glutamate dehydrogenase 1, mitochondrial structureClick to view 3D structureGlutamate dehydrogenase 1, mitochondrialP00366Bos taurusPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.331
Statistical Significance
0.002
Supporting Reference Compounds
2
E-value
15.8812
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available