1-[(2r,4s,5r)-5-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3r,4r,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2r,3r,4r,5r)-2-[[[(2r,3r,4r,5r)-2-[[[(2r,3r,4r,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1h-purin-9-yl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3r,4r,5r)-3-[[(2r,3r,4r,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2r,3r,4r,5r)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CED0284358)

Record Information
Version1.0
Creation Date2026-08-30 15:26:37 UTC
Update Date2026-08-30 15:26:37 UTC
Accession NumberCHEM329772
Identification
Common Name1-[(2r,4s,5r)-5-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3r,4r,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2r,3r,4r,5r)-2-[[[(2r,3r,4r,5r)-2-[[[(2r,3r,4r,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1h-purin-9-yl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1h-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3s,5r)-3-[[(2r,3r,4r,5r)-3-[[(2r,3r,4r,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-[hydroxy-[[(2r,3r,4r,5r)-3-hydroxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
ClassSmall Molecule
Description
This compound has the chemical formula C231H312N78O119P20S20. With an average molecular weight of 7,346 g/mol, this compound is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC231H312N78O119P20S20
Average Molecular MassNot Available
Monoisotopic Mass7340.993 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1C(OC(C1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=S)(O)OC1C(OC(C1OCCOC)N1C=NC2=C1N=C(NC2=O)N)COP(=S)(O)OC1C(OC(C1OCCOC)N1C=NC2=C(N=CN=C21)N)COP(=S)(O)OC1C(OC(C1OCCOC)N1C=C(C(=NC1=O)N)C)CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=O)(OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)O)S
InChI IdentifierInChI=1S/C231H312N78O119P20S20/c1-97-52-295(224(324)273-181(97)235)210-174(361-32-24-353-10)166(118(60-310)401-210)422-444(347,464)383-78-136-171(179(366-37-29-358-15)215(406-136)308-95-265-160-189(243)253-86-259-195(160)308)427-448(351,468)387-80-138-172(180(367-38-30-359-16)216(408-138)309-96-269-164-199(309)279-220(247)283-208(164)320)428-447(350,467)385-76-134-168(175(362-33-25-354-11)211(403-134)296-53-98(2)182(236)274-225(296)325)423-442(345,462)380-73-131-114(48-151(397-131)303-90-263-158-187(241)251-84-257-193(158)303)417-439(342,459)379-72-128-115(49-152(398-128)304-91-266-161-196(304)276-217(244)280-205(161)317)418-435(338,455)370-63-121-107(41-144(390-121)291-22-19-141(234)272-223(291)323)411-430(333,450)374-67-125-111(45-148(394-125)300-87-260-155-184(238)248-81-254-190(155)300)415-437(340,457)378-71-130-117(51-154(400-130)306-93-268-163-198(306)278-219(246)282-207(163)319)420-440(343,460)376-68-126-112(46-149(395-126)301-88-261-156-185(239)249-82-255-191(156)301)416-438(341,458)377-70-129-116(50-153(399-129)305-92-267-162-197(305)277-218(245)281-206(162)318)419-436(339,456)373-66-124-109(43-146(393-124)293-56-101(5)201(313)285-228(293)328)413-433(336,453)368-61-119-105(39-142(388-119)289-20-17-139(232)270-221(289)321)409-429(332,449)371-64-122-110(44-147(391-122)294-57-102(6)202(314)286-229(294)329)414-434(337,454)372-65-123-108(42-145(392-123)292-55-100(4)200(312)284-227(292)327)412-432(335,452)369-62-120-106(40-143(389-120)290-21-18-140(233)271-222(290)322)410-431(334,451)375-69-127-113(47-150(396-127)302-89-262-157-186(240)250-83-256-192(157)302)421-441(344,461)382-75-133-167(177(364-35-27-356-13)213(405-133)299-59-104(8)204(316)288-231(299)331)424-445(348,465)384-77-135-169(176(363-34-26-355-12)212(404-135)297-54-99(3)183(237)275-226(297)326)425-446(349,466)386-79-137-170(178(365-36-28-357-14)214(407-137)307-94-264-159-188(242)252-85-258-194(159)307)426-443(346,463)381-74-132-165(311)173(360-31-23-352-9)209(402-132)298-58-103(7)203(315)287-230(298)330/h17-22,52-59,81-96,105-138,142-154,165-180,209-216,310-311H,23-51,60-80H2,1-16H3,(H,332,449)(H,333,450)(H,334,451)(H,335,452)(H,336,453)(H,337,454)(H,338,455)(H,339,456)(H,340,457)(H,341,458)(H,342,459)(H,343,460)(H,344,461)(H,345,462)(H,346,463)(H,347,464)(H,348,465)(H,349,466)(H,350,467)(H,351,468)(H2,232,270,321)(H2,233,271,322)(H2,234,272,323)(H2,235,273,324)(H2,236,274,325)(H2,237,275,326)(H2,238,248,254)(H2,239,249,255)(H2,240,250,256)(H2,241,251,257)(H2,242,252,258)(H2,243,253,259)(H,284,312,327)(H,285,313,328)(H,286,314,329)(H,287,315,330)(H,288,316,331)(H3,244,276,280,317)(H3,245,277,281,318)(H3,246,278,282,319)(H3,247,279,283,320)/t105-,106-,107-,108-,109-,110-,111-,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+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,209+,210+,211+,212+,213+,214+,215+,216+,429?,430?,431?,432?,433?,434?,435?,436?,437?,438?,439?,440?,441?,442?,443?,444?,445?,446?,447?,448?/m0/s1
InChI KeyRCFZILUHCNXXFY-DEDWCYLFSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

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)2.02408
Non-secretory ribonuclease structureClick to view 3D structureNon-secretory ribonucleaseP10153HumansPredicted (SEA)2.02408
Click to view 3D structureP2Y purinoceptor 11Q96G91HumansPredicted (SEA)22.4984
Click to view 3D structureP2Y purinoceptor 1P49652Meleagris gallopavoPredicted (SEA)26.0795
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)28.5707
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)35.6549
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)35.2657
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)32.2296
Click to view 3D structure6-phosphogluconate dehydrogenase, decarboxylatingP85968Rattus norvegicusPredicted (SEA)6.77288
Click to view 3D structure2-5A-dependent ribonucleaseQ05921Mus musculusPredicted (SEA)10.9767
Click to view 3D structureHeat shock cognate 71 kDa proteinP19120Bos taurusPredicted (SEA)24.5225
Click to view 3D structureSensor protein kinase WalKQ9RDT3Staphylococcus aureusPredicted (SEA)24.5225
Click to view 3D structure2-dehydropantoate 2-reductaseP0A9J4Escherichia coli K-12Predicted (SEA)5.99439
ADP-ribose glycohydrolase MACROD1 structureClick to view 3D structureADP-ribose glycohydrolase MACROD1Q9BQ69HumansPredicted (SEA)24.7561
ADP-ribose glycohydrolase MACROD2 structureClick to view 3D structureADP-ribose glycohydrolase MACROD2A1Z1Q3HumansPredicted (SEA)24.7561
Click to view 3D structureP2Y purinoceptor 12Q9EPX4Rattus norvegicusPredicted (SEA)24.0554
Click to view 3D structureGTP:AMP phosphotransferase AK3, mitochondrialP29411Rattus norvegicusPredicted (SEA)24.8339
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4Q99571HumansPredicted (SEA)27.4808
Bifunctional ligase/repressor BirA structureClick to view 3D structureBifunctional ligase/repressor BirAP06709Escherichia coli (strain K12)Predicted (SEA)13.1565
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 structureClick to view 3D structureEctonucleotide pyrophosphatase/phosphodiesterase family member 1P22413HumansPredicted (SEA)26.2352
Click to view 3D structureThymidine kinase 2D3ZGQ2Rattus norvegicusPredicted (SEA)2.64687
Reverse transcriptase/RNaseH structureClick to view 3D structureReverse transcriptase/RNaseHQ72547Human immunodeficiency virus 1Predicted (SEA)27.0137
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)23.2769
Click to view 3D structureS-adenosylmethionine synthase isoform type-2P18298Rattus norvegicusPredicted (SEA)27.5586
Click to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)20.63
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available