2-amino-9-[(1s,6r,8r,9s,10r,15r,17r,18r)-8-(6-aminopurin-9-yl)-9,18-difluoro-3-hydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1h-purin-6-one (CED0080720)

Record Information
Version1.0
Creation Date2026-08-20 05:34:08 UTC
Update Date2026-08-20 05:34:08 UTC
Accession NumberCHEM201225
Identification
Common Name2-amino-9-[(1s,6r,8r,9s,10r,15r,17r,18r)-8-(6-aminopurin-9-yl)-9,18-difluoro-3-hydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1h-purin-6-one
ClassSmall Molecule
Description
2-amino-9-[(1s,6r,8r,9s,10r,15r,17r,18r)-8-(6-aminopurin-9-yl)-9,18-difluoro-3-hydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1h-purin-6-one is a chemical compound with the formula C20H22F2N10O9P2S2. With an average molecular weight of 710.50 g/mol, 2-amino-9-[(1s,6r,8r,9s,10r,15r,17r,18r)-8-(6-aminopurin-9-yl)-9,18-difluoro-3-hydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1h-purin-6-one is a heavy molecule. This substance has been found in or released from eight recorded sources. Within the building and construction sector, it is associated with ceilings, floors, roofs, stairs and ramps, and sunshades, awnings or outside screens, among one other source. Additionally, the compound is linked to electrical and electronic equipment, specifically appearing in antennas and adjustable resistors.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC20H22F2N10O9P2S2
Average Molecular Mass710.500 g/mol
Monoisotopic Mass710.046 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C20H22F2N10O9P2S2/c21-8-6-1-36-42(34,44)40-12-7(39-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-37-43(35,45)41-13(8)19(38-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,44)(H,35,45)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9+,12-,13-,18-,19-,42?,43?/m1/s1
InChI KeyYSUIQYOGTINQIN-UZFYAQMZSA-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
495CeilingsBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
499RoofsBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
502Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCyclic di-GMP phosphodiesterase RocRQ9HX69Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)4.28171
Click to view 3D structureS-methyl-5'-thioadenosine phosphorylaseQ9CQ65Mus musculusPredicted (SEA)18.9952
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)55.2729
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)99.0242
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)46.8652
Endoplasmin structureClick to view 3D structureEndoplasminP14625HumansPredicted (SEA)34.7986
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)90.85
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)131.565
Adenosylhomocysteinase structureClick to view 3D structureAdenosylhomocysteinaseP23526HumansPredicted (SEA)23.1991
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)126.038
Click to view 3D structureP2X purinoceptor 3Q3UR32Mus musculusPredicted (SEA)9.41976
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)45.6196
Click to view 3D structureAdenosylhomocysteinaseP10760Rattus norvegicusPredicted (SEA)11.5217
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)124.481
Click to view 3D structure2-oxoglutarate receptor 1Q6Y1R5Rattus norvegicusPredicted (SEA)27.4808
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)36.9784
Click to view 3D structureCyclic nucleotide-gated channel alpha-2Q00195Rattus norvegicusPredicted (SEA)4.28171
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)39.1582
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)47.9551
Stimulator of interferon genes protein structureClick to view 3D structureStimulator of interferon genes proteinQ86WV6HumansPredicted (SEA)4.20386
Click to view 3D structureP2Y purinoceptor 1P49652Meleagris gallopavoPredicted (SEA)34.4094
Serine--tRNA ligase, cytoplasmic structureClick to view 3D structureSerine--tRNA ligase, cytoplasmicP49591HumansPredicted (SEA)27.1694
Click to view 3D structureHeat shock cognate 71 kDa proteinP19120Bos taurusPredicted (SEA)31.9182
Click to view 3D structureSensor protein kinase WalKQ9RDT3Staphylococcus aureusPredicted (SEA)31.9182
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4Q99571HumansPredicted (SEA)36.4334
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available