[2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid

C93H133BrCl4N25O42P5S — CID 159274473

About [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid

[2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid (PubChem CID 159274473) has the molecular formula C93H133BrCl4N25O42P5S and a molecular weight of 2681.87 g/mol. Its IUPAC name is [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid.

Molecular Properties

• Compound Name: [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid
• PubChem CID: 159274473
• Molecular Formula: C93H133BrCl4N25O42P5S
• Molecular Weight: 2681.87 g/mol
• Exact Mass: 2677.54
• IUPAC Name: [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid
• SMILES: CS(=O)(=O)C(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.O=P(O)(O)C(CO)(CCO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Br)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)C(CO)(CCO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)C(CO)OC[C@@H]1C[C@@H](O)[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)O1.O=P(O)(O)C(CO)OC[C@H]1O[C@@H](n2ncc3c(N[C@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C21H25ClN5O8P.C19H29BrN5O9P.C19H29ClN5O9P.C17H25ClN5O9PS.C17H25ClN5O7P/c22-21-25-18(24-13-6-5-10-3-1-2-4-11(10)13)12-7-23-27(19(12)26-21)20-17(30)16(29)14(35-20)9-34-15(8-28)36(31,32)33;2*20-18-23-15(22-10-3-1-2-4-10)11-7-21-25(16(11)24-18)17-14(29)13(28)12(34-17)8-33-19(9-27,5-6-26)35(30,31)32;1-34(29,30)17(33(26,27)28)31-7-10-11(24)12(25)15(32-10)23-14-9(6-19-23)13(21-16(18)22-14)20-8-4-2-3-5-8;18-17-21-14(20-9-3-1-2-4-9)11-6-19-23(15(11)22-17)16-12(25)5-10(30-16)8-29-13(7-24)31(26,27)28/h1-4,7,13-17,20,28-30H,5-6,8-9H2,(H,24,25,26)(H2,31,32,33);2*7,10,12-14,17,26-29H,1-6,8-9H2,(H,22,23,24)(H2,30,31,32);6,8,10-12,15,17,24-25H,2-5,7H2,1H3,(H,20,21,22)(H2,26,27,28);6,9-10,12-13,16,24-25H,1-5,7-8H2,(H,20,21,22)(H2,26,27,28)/t13-,14+,15?,16+,17+,20+;2*12-,13-,14-,17-,19?;10-,11-,12-,15-,17?;10-,12+,13?,16+/m01110/s1
• InChIKey: KYCWWXPEARZQOQ-MFWVIWASSA-N
• XLogP: 1.23
• TPSA: 995.69 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 57
• Rotatable Bonds: 44
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2681.87
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid?

The IUPAC name of [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid (CID 159274473) is [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid.

What is the SMILES notation for [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid?

The canonical SMILES for [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid is CS(=O)(=O)C(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.O=P(O)(O)C(CO)(CCO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Br)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)C(CO)(CCO)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)C(CO)OC[C@@H]1C[C@@H](O)[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)O1.O=P(O)(O)C(CO)OC[C@H]1O[C@@H](n2ncc3c(N[C@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid?

The InChIKey is KYCWWXPEARZQOQ-MFWVIWASSA-N. The full InChI is InChI=1S/C21H25ClN5O8P.C19H29BrN5O9P.C19H29ClN5O9P.C17H25ClN5O9PS.C17H25ClN5O7P/c22-21-25-18(24-13-6-5-10-3-1-2-4-11(10)13)12-7-23-27(19(12)26-21)20-17(30)16(29)14(35-20)9-34-15(8-28)36(31,32)33;2*20-18-23-15(22-10-3-1-2-4-10)11-7-21-25(16(11)24-18)17-14(29)13(28)12(34-17)8-33-19(9-27,5-6-26)35(30,31)32;1-34(29,30)17(33(26,27)28)31-7-10-11(24)12(25)15(32-10)23-14-9(6-19-23)13(21-16(18)22-14)20-8-4-2-3-5-8;18-17-21-14(20-9-3-1-2-4-9)11-6-19-23(15(11)22-17)16-12(25)5-10(30-16)8-29-13(7-24)31(26,27)28/h1-4,7,13-17,20,28-30H,5-6,8-9H2,(H,24,25,26)(H2,31,32,33);2*7,10,12-14,17,26-29H,1-6,8-9H2,(H,22,23,24)(H2,30,31,32);6,8,10-12,15,17,24-25H,2-5,7H2,1H3,(H,20,21,22)(H2,26,27,28);6,9-10,12-13,16,24-25H,1-5,7-8H2,(H,20,21,22)(H2,26,27,28)/t13-,14+,15?,16+,17+,20+;2*12-,13-,14-,17-,19?;10-,11-,12-,15-,17?;10-,12+,13?,16+/m01110/s1.

What are the key properties of [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid?

[2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid has a molecular weight of 2681.87 g/mol, XLogP of 1.23, 44 rotatable bonds, 30 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2R,3S,4R,5R)-5-[6-bromo-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,4-dihydroxybutan-2-yl]phosphonic acid;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-methylsulfonylmethyl]phosphonic acid;[1-[[(2S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid is sourced from PubChem (CID 159274473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).