[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid

C95H140Cl4N37O44P5 — CID 160525075

About [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid

[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid (PubChem CID 160525075) has the molecular formula C95H140Cl4N37O44P5 and a molecular weight of 2801.06 g/mol. Its IUPAC name is [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid.

Molecular Properties

• Compound Name: [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid
• PubChem CID: 160525075
• Molecular Formula: C95H140Cl4N37O44P5
• Molecular Weight: 2801.06 g/mol
• Exact Mass: 2797.73
• IUPAC Name: [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid
• SMILES: CCOC(=O)COC[C@@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.C[C@@H]1CCC[C@H]1Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COC(CO)(CO)P(=O)(O)O)[C@@H](O)[C@H]1O.Cc1nc(NC(C)C)c2cnn([C@@H]3O[C@H](COC(CO)(Cc4nn[nH]n4)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.O=P(O)(O)[C@@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1.O=P(O)(O)[C@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1
• InChI: InChI=1S/C22H33ClN5O11P.C19H29ClN5O9P.2C18H25ClN9O8P.C18H28N9O8P/c1-2-37-15(30)9-36-11-22(10-29,40(33,34)35)38-8-14-16(31)17(32)20(39-14)28-19-13(7-24-28)18(26-21(23)27-19)25-12-5-3-4-6-12;1-9-3-2-4-11(9)22-15-10-5-21-25(16(10)24-18(20)23-15)17-14(29)13(28)12(34-17)6-33-19(7-26,8-27)35(30,31)32;2*19-17-22-13(21-8-3-1-2-4-8)9-5-20-28(14(9)23-17)15-12(31)11(30)10(36-15)6-35-18(7-29,37(32,33)34)16-24-26-27-25-16;1-8(2)20-15-10-5-19-27(16(10)22-9(3)21-15)17-14(30)13(29)11(35-17)6-34-18(7-28,36(31,32)33)4-12-23-25-26-24-12/h7,12,14,16-17,20,29,31-32H,2-6,8-11H2,1H3,(H,25,26,27)(H2,33,34,35);5,9,11-14,17,26-29H,2-4,6-8H2,1H3,(H,22,23,24)(H2,30,31,32);2*5,8,10-12,15,29-31H,1-4,6-7H2,(H,21,22,23)(H2,32,33,34)(H,24,25,26,27);5,8,11,13-14,17,28-30H,4,6-7H2,1-3H3,(H,20,21,22)(H2,31,32,33)(H,23,24,25,26)/t14-,16-,17-,20-,22+;9-,11-,12-,13-,14-,17-;10-,11-,12-,15-,18+;10-,11-,12-,15-,18-;11-,13-,14-,17-,18?/m11111/s1
• InChIKey: QUTXLZUPUPCNIU-GWNQWUBISA-N
• XLogP: -4.28
• TPSA: 1180.69 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 68
• Rotatable Bonds: 50
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2801.06
LogP ≤ 5	-4.28
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	68

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid?

The IUPAC name of [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid (CID 160525075) is [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid.

What is the SMILES notation for [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid?

The canonical SMILES for [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid is CCOC(=O)COC[C@@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.C[C@@H]1CCC[C@H]1Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COC(CO)(CO)P(=O)(O)O)[C@@H](O)[C@H]1O.Cc1nc(NC(C)C)c2cnn([C@@H]3O[C@H](COC(CO)(Cc4nn[nH]n4)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.O=P(O)(O)[C@@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1.O=P(O)(O)[C@](CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1.

What is the InChIKey of [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid?

The InChIKey is QUTXLZUPUPCNIU-GWNQWUBISA-N. The full InChI is InChI=1S/C22H33ClN5O11P.C19H29ClN5O9P.2C18H25ClN9O8P.C18H28N9O8P/c1-2-37-15(30)9-36-11-22(10-29,40(33,34)35)38-8-14-16(31)17(32)20(39-14)28-19-13(7-24-28)18(26-21(23)27-19)25-12-5-3-4-6-12;1-9-3-2-4-11(9)22-15-10-5-21-25(16(10)24-18(20)23-15)17-14(29)13(28)12(34-17)6-33-19(7-26,8-27)35(30,31)32;2*19-17-22-13(21-8-3-1-2-4-8)9-5-20-28(14(9)23-17)15-12(31)11(30)10(36-15)6-35-18(7-29,37(32,33)34)16-24-26-27-25-16;1-8(2)20-15-10-5-19-27(16(10)22-9(3)21-15)17-14(30)13(29)11(35-17)6-34-18(7-28,36(31,32)33)4-12-23-25-26-24-12/h7,12,14,16-17,20,29,31-32H,2-6,8-11H2,1H3,(H,25,26,27)(H2,33,34,35);5,9,11-14,17,26-29H,2-4,6-8H2,1H3,(H,22,23,24)(H2,30,31,32);2*5,8,10-12,15,29-31H,1-4,6-7H2,(H,21,22,23)(H2,32,33,34)(H,24,25,26,27);5,8,11,13-14,17,28-30H,4,6-7H2,1-3H3,(H,20,21,22)(H2,31,32,33)(H,23,24,25,26)/t14-,16-,17-,20-,22+;9-,11-,12-,13-,14-,17-;10-,11-,12-,15-,18+;10-,11-,12-,15-,18-;11-,13-,14-,17-,18?/m11111/s1.

What are the key properties of [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid?

[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid has a molecular weight of 2801.06 g/mol, XLogP of -4.28, 50 rotatable bonds, 34 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-(2-ethoxy-2-oxoethoxy)-3-hydroxypropan-2-yl]phosphonic acid;[(1R)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[(1S)-1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1R,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,3-dihydroxypropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-yl)propan-2-yl]phosphonic acid is sourced from PubChem (CID 160525075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).