[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid

C93H139Cl4N35O48P6S6 — CID 159355757

About [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid

[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid (PubChem CID 159355757) has the molecular formula C93H139Cl4N35O48P6S6 and a molecular weight of 3035.39 g/mol. Its IUPAC name is [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid.

Molecular Properties

• Compound Name: [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
• PubChem CID: 159355757
• Molecular Formula: C93H139Cl4N35O48P6S6
• Molecular Weight: 3035.39 g/mol
• Exact Mass: 3031.50
• IUPAC Name: [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
• SMILES: CN(C[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)S(=O)(=O)CP(=O)(O)O.CN(C[C@H]1O[C@@H](n2ncc3c(NCC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)S(=O)(=O)CP(=O)(O)O.Cc1nc(NC2CCC2)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.Cc1nc(NC2CCC2)c2nnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NCC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C17H26ClN6O8PS.C16H24ClN6O8PS.C16H24N5O8PS.C15H22ClN6O8PS.C15H23N6O8PS.C14H20ClN6O8PS/c1-23(34(30,31)8-33(27,28)29)7-11-12(25)13(26)16(32-11)24-15-10(6-19-24)14(21-17(18)22-15)20-9-4-2-3-5-9;1-22(33(29,30)7-32(26,27)28)6-10-11(24)12(25)15(31-10)23-14-9(5-19-23)13(20-16(17)21-14)18-4-8-2-3-8;1-8-18-14(20-9-3-2-4-9)10-5-17-21(15(10)19-8)16-13(23)12(22)11(29-16)6-31(27,28)7-30(24,25)26;16-15-18-12(17-7-3-1-2-4-7)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;1-7-16-13(18-8-3-2-4-8)10-14(17-7)21(20-19-10)15-12(23)11(22)9(29-15)5-31(27,28)6-30(24,25)26;15-14-17-11(16-3-6-1-2-6)8-12(18-14)21(20-19-8)13-10(23)9(22)7(29-13)4-31(27,28)5-30(24,25)26/h6,9,11-13,16,25-26H,2-5,7-8H2,1H3,(H,20,21,22)(H2,27,28,29);5,8,10-12,15,24-25H,2-4,6-7H2,1H3,(H,18,20,21)(H2,26,27,28);5,9,11-13,16,22-23H,2-4,6-7H2,1H3,(H,18,19,20)(H2,24,25,26);7-8,10-11,14,23-24H,1-6H2,(H,17,18,19)(H2,25,26,27);8-9,11-12,15,22-23H,2-6H2,1H3,(H,16,17,18)(H2,24,25,26);6-7,9-10,13,22-23H,1-5H2,(H,16,17,18)(H2,24,25,26)/t11-,12-,13-,16-;10-,11-,12-,15-;11-,12-,13-,16-;8-,10-,11-,14-;9-,11-,12-,15-;7-,9-,10-,13-/m111111/s1
• InChIKey: LHWYKYJKGXXCBS-YWIGKYSJSA-N
• XLogP: -4.64
• TPSA: 1227.09 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 69
• Rotatable Bonds: 46
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3035.39
LogP ≤ 5	-4.64
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	69

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The IUPAC name of [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid (CID 159355757) is [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid.

What is the SMILES notation for [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The canonical SMILES for [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid is CN(C[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)S(=O)(=O)CP(=O)(O)O.CN(C[C@H]1O[C@@H](n2ncc3c(NCC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)S(=O)(=O)CP(=O)(O)O.Cc1nc(NC2CCC2)c2cnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.Cc1nc(NC2CCC2)c2nnn([C@@H]3O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2nnc3c(NCC4CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The InChIKey is LHWYKYJKGXXCBS-YWIGKYSJSA-N. The full InChI is InChI=1S/C17H26ClN6O8PS.C16H24ClN6O8PS.C16H24N5O8PS.C15H22ClN6O8PS.C15H23N6O8PS.C14H20ClN6O8PS/c1-23(34(30,31)8-33(27,28)29)7-11-12(25)13(26)16(32-11)24-15-10(6-19-24)14(21-17(18)22-15)20-9-4-2-3-5-9;1-22(33(29,30)7-32(26,27)28)6-10-11(24)12(25)15(31-10)23-14-9(5-19-23)13(20-16(17)21-14)18-4-8-2-3-8;1-8-18-14(20-9-3-2-4-9)10-5-17-21(15(10)19-8)16-13(23)12(22)11(29-16)6-31(27,28)7-30(24,25)26;16-15-18-12(17-7-3-1-2-4-7)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;1-7-16-13(18-8-3-2-4-8)10-14(17-7)21(20-19-10)15-12(23)11(22)9(29-15)5-31(27,28)6-30(24,25)26;15-14-17-11(16-3-6-1-2-6)8-12(18-14)21(20-19-8)13-10(23)9(22)7(29-13)4-31(27,28)5-30(24,25)26/h6,9,11-13,16,25-26H,2-5,7-8H2,1H3,(H,20,21,22)(H2,27,28,29);5,8,10-12,15,24-25H,2-4,6-7H2,1H3,(H,18,20,21)(H2,26,27,28);5,9,11-13,16,22-23H,2-4,6-7H2,1H3,(H,18,19,20)(H2,24,25,26);7-8,10-11,14,23-24H,1-6H2,(H,17,18,19)(H2,25,26,27);8-9,11-12,15,22-23H,2-6H2,1H3,(H,16,17,18)(H2,24,25,26);6-7,9-10,13,22-23H,1-5H2,(H,16,17,18)(H2,24,25,26)/t11-,12-,13-,16-;10-,11-,12-,15-;11-,12-,13-,16-;8-,10-,11-,14-;9-,11-,12-,15-;7-,9-,10-,13-/m111111/s1.

What are the key properties of [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid has a molecular weight of 3035.39 g/mol, XLogP of -4.64, 46 rotatable bonds, 30 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopropylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfamoyl]methylphosphonic acid;[(2S,3S,4R,5R)-5-[5-chloro-7-(cyclopropylmethylamino)triazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[4-(cyclobutylamino)-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[7-(cyclobutylamino)-5-methyltriazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid is sourced from PubChem (CID 159355757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).