[(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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

C101H149Cl5N29O50P5 — CID 164980114

About [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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

[(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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 (PubChem CID 164980114) has the molecular formula C101H149Cl5N29O50P5 and a molecular weight of 2901.59 g/mol. Its IUPAC name is [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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.

Molecular Properties

• Compound Name: [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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
• PubChem CID: 164980114
• Molecular Formula: C101H149Cl5N29O50P5
• Molecular Weight: 2901.59 g/mol
• Exact Mass: 2897.71
• IUPAC Name: [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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
• 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.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.O=C(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.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/2C22H33ClN5O11P.C20H29ClN5O11P.C19H29ClN5O9P.C18H25ClN9O8P/c2*1-2-37-15(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;21-19-24-16(23-10-3-1-2-4-10)11-5-22-26(17(11)25-19)18-15(31)14(30)12(37-18)6-36-20(8-27,38(32,33)34)9-35-7-13(28)29;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;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/h2*7,12,14,16-17,20,29,31-32H,2-6,8-11H2,1H3,(H,25,26,27)(H2,33,34,35);5,10,12,14-15,18,27,30-31H,1-4,6-9H2,(H,28,29)(H,23,24,25)(H2,32,33,34);5,9,11-14,17,26-29H,2-4,6-8H2,1H3,(H,22,23,24)(H2,30,31,32);5,8,10-12,15,29-31H,1-4,6-7H2,(H,21,22,23)(H2,32,33,34)(H,24,25,26,27)/t14-,16-,17-,20-,22+;14-,16-,17-,20-,22-;12-,14-,15-,18-,20+;9-,11-,12-,13-,14-,17-;10-,11-,12-,15-,18-/m11111/s1
• InChIKey: FIZTVNPIKLQOMR-LBJOZOGNSA-N
• XLogP: -2.15
• TPSA: 1153.83 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 67
• Rotatable Bonds: 56
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2901.59
LogP ≤ 5	-2.15
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	67

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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?

The IUPAC name of [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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 (CID 164980114) is [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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.

What is the SMILES notation for [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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?

The canonical SMILES for [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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 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.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.O=C(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.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 [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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?

The InChIKey is FIZTVNPIKLQOMR-LBJOZOGNSA-N. The full InChI is InChI=1S/2C22H33ClN5O11P.C20H29ClN5O11P.C19H29ClN5O9P.C18H25ClN9O8P/c2*1-2-37-15(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;21-19-24-16(23-10-3-1-2-4-10)11-5-22-26(17(11)25-19)18-15(31)14(30)12(37-18)6-36-20(8-27,38(32,33)34)9-35-7-13(28)29;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;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/h2*7,12,14,16-17,20,29,31-32H,2-6,8-11H2,1H3,(H,25,26,27)(H2,33,34,35);5,10,12,14-15,18,27,30-31H,1-4,6-9H2,(H,28,29)(H,23,24,25)(H2,32,33,34);5,9,11-14,17,26-29H,2-4,6-8H2,1H3,(H,22,23,24)(H2,30,31,32);5,8,10-12,15,29-31H,1-4,6-7H2,(H,21,22,23)(H2,32,33,34)(H,24,25,26,27)/t14-,16-,17-,20-,22+;14-,16-,17-,20-,22-;12-,14-,15-,18-,20+;9-,11-,12-,13-,14-,17-;10-,11-,12-,15-,18-/m11111/s1.

What are the key properties of [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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?

[(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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 has a molecular weight of 2901.59 g/mol, XLogP of -2.15, 56 rotatable bonds, 33 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-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;[(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;2-[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3-hydroxy-2-phosphonopropoxy]acetic 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 is sourced from PubChem (CID 164980114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).