[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

C132H165Cl9F2N42O62P14 — CID 158615740

IUPAC[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
SMILESCN(Cc1ccccc1)c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O.CN(c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@@H]1CCc2ccccc21.CN(c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21.CO[C@H]1[C@@H](O)[C@H](n2nnc3c(N(C)Cc4ccccc4)nc(Cl)nc32)O[C@@H]1COP(=O)(O)CP(=O)(O)O.C[C@@H](c1ccccc1Cl)N(C)c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O.Cc1cccc(CNc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)CP(=O)(O)C(F)(F)C[C@H]1O[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/2C20H25ClN6O9P2.C19H24Cl2N6O9P2.C19H25ClN6O9P2.C18H20Cl2F2N6O8P2.2C18H23ClN6O9P2/c2*1-26(12-7-6-10-4-2-3-5-11(10)12)17-14-18(23-20(21)22-17)27(25-24-14)19-16(29)15(28)13(36-19)8-35-38(33,34)9-37(30,31)32;1-9(10-5-3-4-6-11(10)20)26(2)16-13-17(23-19(21)22-16)27(25-24-13)18-15(29)14(28)12(36-18)7-35-38(33,34)8-37(30,31)32;1-25(8-11-6-4-3-5-7-11)16-13-17(22-19(20)21-16)26(24-23-13)18-14(27)15(33-2)12(35-18)9-34-37(31,32)10-36(28,29)30;19-9-4-2-1-3-8(9)6-23-14-11-15(25-17(20)24-14)28(27-26-11)16-13(30)12(29)10(36-16)5-18(21,22)37(31,32)7-38(33,34)35;1-9-3-2-4-10(5-9)6-20-15-12-16(22-18(19)21-15)25(24-23-12)17-14(27)13(26)11(34-17)7-33-36(31,32)8-35(28,29)30;1-24(7-10-5-3-2-4-6-10)15-12-16(21-18(19)20-15)25(23-22-12)17-14(27)13(26)11(34-17)8-33-36(31,32)9-35(28,29)30/h2*2-5,12-13,15-16,19,28-29H,6-9H2,1H3,(H,33,34)(H2,30,31,32);3-6,9,12,14-15,18,28-29H,7-8H2,1-2H3,(H,33,34)(H2,30,31,32);3-7,12,14-15,18,27H,8-10H2,1-2H3,(H,31,32)(H2,28,29,30);1-4,10,12-13,16,29-30H,5-7H2,(H,31,32)(H,23,24,25)(H2,33,34,35);2-5,11,13-14,17,26-27H,6-8H2,1H3,(H,31,32)(H,20,21,22)(H2,28,29,30);2-6,11,13-14,17,26-27H,7-9H2,1H3,(H,31,32)(H2,28,29,30)/t12-,13+,15+,16+,19+;12-,13-,15-,16-,19-;9-,12+,14+,15+,18+;12-,14-,15-,18-;10-,12-,13-,16-;2*11-,13-,14-,17-/m0101111/s1
InChIKeyHXJCZRZZVHBVME-CVIHASACSA-N
MW4122.71 g/mol
LogP8.08
Rot. Bonds62

About [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid (PubChem CID 158615740) has the molecular formula C132H165Cl9F2N42O62P14 and a molecular weight of 4122.71 g/mol. Its IUPAC name is [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
PubChem CID158615740
Molecular FormulaC132H165Cl9F2N42O62P14
Molecular Weight4122.71 g/mol
Exact Mass4116.45
IUPAC Name[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
SMILESCN(Cc1ccccc1)c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O.CN(c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@@H]1CCc2ccccc21.CN(c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21.CO[C@H]1[C@@H](O)[C@H](n2nnc3c(N(C)Cc4ccccc4)nc(Cl)nc32)O[C@@H]1COP(=O)(O)CP(=O)(O)O.C[C@@H](c1ccccc1Cl)N(C)c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O.Cc1cccc(CNc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)CP(=O)(O)C(F)(F)C[C@H]1O[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/2C20H25ClN6O9P2.C19H24Cl2N6O9P2.C19H25ClN6O9P2.C18H20Cl2F2N6O8P2.2C18H23ClN6O9P2/c2*1-26(12-7-6-10-4-2-3-5-11(10)12)17-14-18(23-20(21)22-17)27(25-24-14)19-16(29)15(28)13(36-19)8-35-38(33,34)9-37(30,31)32;1-9(10-5-3-4-6-11(10)20)26(2)16-13-17(23-19(21)22-16)27(25-24-13)18-15(29)14(28)12(36-18)7-35-38(33,34)8-37(30,31)32;1-25(8-11-6-4-3-5-7-11)16-13-17(22-19(20)21-16)26(24-23-13)18-14(27)15(33-2)12(35-18)9-34-37(31,32)10-36(28,29)30;19-9-4-2-1-3-8(9)6-23-14-11-15(25-17(20)24-14)28(27-26-11)16-13(30)12(29)10(36-16)5-18(21,22)37(31,32)7-38(33,34)35;1-9-3-2-4-10(5-9)6-20-15-12-16(22-18(19)21-15)25(24-23-12)17-14(27)13(26)11(34-17)7-33-36(31,32)8-35(28,29)30;1-24(7-10-5-3-2-4-6-10)15-12-16(21-18(19)20-15)25(23-22-12)17-14(27)13(26)11(34-17)8-33-36(31,32)9-35(28,29)30/h2*2-5,12-13,15-16,19,28-29H,6-9H2,1H3,(H,33,34)(H2,30,31,32);3-6,9,12,14-15,18,28-29H,7-8H2,1-2H3,(H,33,34)(H2,30,31,32);3-7,12,14-15,18,27H,8-10H2,1-2H3,(H,31,32)(H2,28,29,30);1-4,10,12-13,16,29-30H,5-7H2,(H,31,32)(H,23,24,25)(H2,33,34,35);2-5,11,13-14,17,26-27H,6-8H2,1H3,(H,31,32)(H,20,21,22)(H2,28,29,30);2-6,11,13-14,17,26-27H,7-9H2,1H3,(H,31,32)(H2,28,29,30)/t12-,13+,15+,16+,19+;12-,13-,15-,16-,19-;9-,12+,14+,15+,18+;12-,14-,15-,18-;10-,12-,13-,16-;2*11-,13-,14-,17-/m0101111/s1
InChIKeyHXJCZRZZVHBVME-CVIHASACSA-N
XLogP8.08
TPSA1491.71 Ų
H-Bond Donors36
H-Bond Acceptors83
Rotatable Bonds62
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004122.71
LogP ≤ 58.08
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1083

Analyze [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid with MolForge

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Related Compounds

[[(2R,3S,4R,5R)-5-[5-chloro-7-[methyl-[(3-methylphenyl)methyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 159266311
[[(2R,3S,4R,5R)-5-(7-amino-5-methyltriazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-(benzylamino)-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(3R)-oxolan-3-yl]methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 159698400
[[(2R,3S,4R,5S)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 146444672
[2-[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid
CID 142587065
[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methyl-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(1R,2R,3S,4R)-4-[5-chloro-7-[methyl-[(3-methylphenyl)methyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(1R,2R,3S,4R)-4-[5-chloro-7-[methyl-[(1S)-1-phenylethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2S)-2-phenylpiperidin-1-yl]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2S)-2-phenylpyrrolidin-1-yl]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2R)-2-phenylpyrrolidin-1-yl]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 161141489
[[(2R,3S,4R,5R)-5-[6-chloro-4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]methylphosphonic acid
CID 146496644
[[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3-cyclopropyl-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 142470789
[[(1S,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3-hydroxy-2-(methanesulfonamido)cyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 153467335
[[(2R,3S,5R)-5-[7-(benzylamino)-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 146496675
[[(2R,3R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pyrazolo[5,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 164776436
[[(2R,3S,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3-hydroxyoxolan-2-yl]methoxy-phenylmethoxyphosphoryl]methylphosphonic acid
CID 146496678
[[(2R,3S,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 146496847

Frequently Asked Questions

What is the IUPAC name of [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid?
The IUPAC name of [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid (CID 158615740) is [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid.
What is the SMILES notation for [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid?
The canonical SMILES for [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid is CN(Cc1ccccc1)c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O.CN(c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@@H]1CCc2ccccc21.CN(c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21.CO[C@H]1[C@@H](O)[C@H](n2nnc3c(N(C)Cc4ccccc4)nc(Cl)nc32)O[C@@H]1COP(=O)(O)CP(=O)(O)O.C[C@@H](c1ccccc1Cl)N(C)c1nc(Cl)nc2c1nnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O.Cc1cccc(CNc2nc(Cl)nc3c2nnn3[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)CP(=O)(O)C(F)(F)C[C@H]1O[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O.
What is the InChIKey of [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid?
The InChIKey is HXJCZRZZVHBVME-CVIHASACSA-N. The full InChI is InChI=1S/2C20H25ClN6O9P2.C19H24Cl2N6O9P2.C19H25ClN6O9P2.C18H20Cl2F2N6O8P2.2C18H23ClN6O9P2/c2*1-26(12-7-6-10-4-2-3-5-11(10)12)17-14-18(23-20(21)22-17)27(25-24-14)19-16(29)15(28)13(36-19)8-35-38(33,34)9-37(30,31)32;1-9(10-5-3-4-6-11(10)20)26(2)16-13-17(23-19(21)22-16)27(25-24-13)18-15(29)14(28)12(36-18)7-35-38(33,34)8-37(30,31)32;1-25(8-11-6-4-3-5-7-11)16-13-17(22-19(20)21-16)26(24-23-13)18-14(27)15(33-2)12(35-18)9-34-37(31,32)10-36(28,29)30;19-9-4-2-1-3-8(9)6-23-14-11-15(25-17(20)24-14)28(27-26-11)16-13(30)12(29)10(36-16)5-18(21,22)37(31,32)7-38(33,34)35;1-9-3-2-4-10(5-9)6-20-15-12-16(22-18(19)21-15)25(24-23-12)17-14(27)13(26)11(34-17)7-33-36(31,32)8-35(28,29)30;1-24(7-10-5-3-2-4-6-10)15-12-16(21-18(19)20-15)25(23-22-12)17-14(27)13(26)11(34-17)8-33-36(31,32)9-35(28,29)30/h2*2-5,12-13,15-16,19,28-29H,6-9H2,1H3,(H,33,34)(H2,30,31,32);3-6,9,12,14-15,18,28-29H,7-8H2,1-2H3,(H,33,34)(H2,30,31,32);3-7,12,14-15,18,27H,8-10H2,1-2H3,(H,31,32)(H2,28,29,30);1-4,10,12-13,16,29-30H,5-7H2,(H,31,32)(H,23,24,25)(H2,33,34,35);2-5,11,13-14,17,26-27H,6-8H2,1H3,(H,31,32)(H,20,21,22)(H2,28,29,30);2-6,11,13-14,17,26-27H,7-9H2,1H3,(H,31,32)(H2,28,29,30)/t12-,13+,15+,16+,19+;12-,13-,15-,16-,19-;9-,12+,14+,15+,18+;12-,14-,15-,18-;10-,12-,13-,16-;2*11-,13-,14-,17-/m0101111/s1.
What are the key properties of [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid?
[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid has a molecular weight of 4122.71 g/mol, XLogP of 8.08, 62 rotatable bonds, 36 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[7-[benzyl(methyl)amino]-5-chlorotriazolo[4,5-d]pyrimidin-3-yl]-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[2-[(2R,3S,4R,5R)-5-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;[[(2R,3S,4R,5R)-5-[5-chloro-7-[(3-methylphenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid is sourced from PubChem (CID 158615740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).