[(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid)

C104H134Cl7N37O47P6S5 — CID 160670817

About [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid)

[(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid) (PubChem CID 160670817) has the molecular formula C104H134Cl7N37O47P6S5 and a molecular weight of 3248.78 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid).

Molecular Properties

• Compound Name: [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid)
• PubChem CID: 160670817
• Molecular Formula: C104H134Cl7N37O47P6S5
• Molecular Weight: 3248.78 g/mol
• Exact Mass: 3243.41
• IUPAC Name: [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid)
• SMILES: CN(C[C@H]1O[C@@H](n2nnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)C(=O)CP(=O)(O)O.Cc1ccc(CNc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1.Cc1ccc(CNc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1.Cc1ccc([C@H](C)Nc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NCC4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C19H24ClN6O8PS.2C18H22ClN6O8PS.C17H19Cl2N6O8PS.C17H25ClN7O7P.C15H22ClN6O8PS/c1-9-3-5-11(6-4-9)10(2)21-16-13-17(23-19(20)22-16)26(25-24-13)18-15(28)14(27)12(34-18)7-36(32,33)8-35(29,30)31;2*1-9-2-4-10(5-3-9)6-20-15-12-16(22-18(19)21-15)25(24-23-12)17-14(27)13(26)11(33-17)7-35(31,32)8-34(28,29)30;18-9-4-2-1-3-8(9)5-20-14-11-15(22-17(19)21-14)25(24-23-11)16-13(27)12(26)10(33-16)6-35(31,32)7-34(28,29)30;1-24(10(26)7-33(29,30)31)6-9-12(27)13(28)16(32-9)25-15-11(22-23-25)14(20-17(18)21-15)19-8-4-2-3-5-8;16-15-18-12(17-4-7-2-1-3-7)9-13(19-15)22(21-20-9)14-11(24)10(23)8(30-14)5-32(28,29)6-31(25,26)27/h3-6,10,12,14-15,18,27-28H,7-8H2,1-2H3,(H,21,22,23)(H2,29,30,31);2*2-5,11,13-14,17,26-27H,6-8H2,1H3,(H,20,21,22)(H2,28,29,30);1-4,10,12-13,16,26-27H,5-7H2,(H,20,21,22)(H2,28,29,30);8-9,12-13,16,27-28H,2-7H2,1H3,(H,19,20,21)(H2,29,30,31);7-8,10-11,14,23-24H,1-6H2,(H,17,18,19)(H2,25,26,27)/t10-,12+,14+,15+,18+;2*11-,13-,14-,17-;10-,12-,13-,16-;9-,12-,13-,16-;8-,10-,11-,14-/m011111/s1
• InChIKey: RMXFJSSTAUSMJC-PEDAZNEBSA-N
• XLogP: -0.50
• TPSA: 1245.45 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 71
• Rotatable Bonds: 47
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3248.78
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid)?

The IUPAC name of [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid) (CID 160670817) is [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid).

What is the SMILES notation for [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid)?

The canonical SMILES for [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid) is CN(C[C@H]1O[C@@H](n2nnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)C(=O)CP(=O)(O)O.Cc1ccc(CNc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1.Cc1ccc(CNc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1.Cc1ccc([C@H](C)Nc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NCC4CCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid)?

The InChIKey is RMXFJSSTAUSMJC-PEDAZNEBSA-N. The full InChI is InChI=1S/C19H24ClN6O8PS.2C18H22ClN6O8PS.C17H19Cl2N6O8PS.C17H25ClN7O7P.C15H22ClN6O8PS/c1-9-3-5-11(6-4-9)10(2)21-16-13-17(23-19(20)22-16)26(25-24-13)18-15(28)14(27)12(34-18)7-36(32,33)8-35(29,30)31;2*1-9-2-4-10(5-3-9)6-20-15-12-16(22-18(19)21-15)25(24-23-12)17-14(27)13(26)11(33-17)7-35(31,32)8-34(28,29)30;18-9-4-2-1-3-8(9)5-20-14-11-15(22-17(19)21-14)25(24-23-11)16-13(27)12(26)10(33-16)6-35(31,32)7-34(28,29)30;1-24(10(26)7-33(29,30)31)6-9-12(27)13(28)16(32-9)25-15-11(22-23-25)14(20-17(18)21-15)19-8-4-2-3-5-8;16-15-18-12(17-4-7-2-1-3-7)9-13(19-15)22(21-20-9)14-11(24)10(23)8(30-14)5-32(28,29)6-31(25,26)27/h3-6,10,12,14-15,18,27-28H,7-8H2,1-2H3,(H,21,22,23)(H2,29,30,31);2*2-5,11,13-14,17,26-27H,6-8H2,1H3,(H,20,21,22)(H2,28,29,30);1-4,10,12-13,16,26-27H,5-7H2,(H,20,21,22)(H2,28,29,30);8-9,12-13,16,27-28H,2-7H2,1H3,(H,19,20,21)(H2,29,30,31);7-8,10-11,14,23-24H,1-6H2,(H,17,18,19)(H2,25,26,27)/t10-,12+,14+,15+,18+;2*11-,13-,14-,17-;10-,12-,13-,16-;9-,12-,13-,16-;8-,10-,11-,14-/m011111/s1.

What are the key properties of [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid)?

[(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid) has a molecular weight of 3248.78 g/mol, XLogP of -0.50, 47 rotatable bonds, 30 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclobutylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(4-methylphenyl)ethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;bis([(2S,3S,4R,5R)-5-[5-chloro-7-[(4-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid) is sourced from PubChem (CID 160670817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).