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

C100H145Cl5N25O53P5 — CID 161407293

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

[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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 (PubChem CID 161407293) has the molecular formula C100H145Cl5N25O53P5 and a molecular weight of 2877.52 g/mol. Its IUPAC name is [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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.

Molecular Properties

• Compound Name: [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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
• PubChem CID: 161407293
• Molecular Formula: C100H145Cl5N25O53P5
• Molecular Weight: 2877.52 g/mol
• Exact Mass: 2873.66
• IUPAC Name: [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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
• SMILES: CCOC(=O)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.O=C(O)C(CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.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=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
• InChI: InChI=1S/C22H33ClN5O11P.2C20H29ClN5O11P.C20H29ClN5O10P.C18H25ClN5O10P/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;2*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;1-2-34-18(30)20(9-27,37(31,32)33)35-8-12-13(28)14(29)17(36-12)26-16-11(7-22-26)15(24-19(21)25-16)23-10-5-3-4-6-10;19-17-22-13(21-8-3-1-2-4-8)9-5-20-24(14(9)23-17)15-12(27)11(26)10(34-15)6-33-18(7-25,16(28)29)35(30,31)32/h7,12,14,16-17,20,29,31-32H,2-6,8-11H2,1H3,(H,25,26,27)(H2,33,34,35);2*5,10,12,14-15,18,27,30-31H,1-4,6-9H2,(H,28,29)(H,23,24,25)(H2,32,33,34);7,10,12-14,17,27-29H,2-6,8-9H2,1H3,(H,23,24,25)(H2,31,32,33);5,8,10-12,15,25-27H,1-4,6-7H2,(H,28,29)(H,21,22,23)(H2,30,31,32)/t14-,16-,17-,20-,22-;12-,14-,15-,18-,20+;12-,14-,15-,18-,20-;12-,13-,14-,17-,20?;10-,11-,12-,15-,18?/m11111/s1
• InChIKey: VUZVTDFVSITVIG-LYJUBBNCSA-N
• XLogP: -1.89
• TPSA: 1153.74 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 65
• Rotatable Bonds: 56
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2877.52
LogP ≤ 5	-1.89
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	65

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-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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?

The IUPAC name of [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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 (CID 161407293) is [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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.

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

The canonical SMILES for [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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 is CCOC(=O)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.O=C(O)C(CO)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.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=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.

What is the InChIKey of [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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?

The InChIKey is VUZVTDFVSITVIG-LYJUBBNCSA-N. The full InChI is InChI=1S/C22H33ClN5O11P.2C20H29ClN5O11P.C20H29ClN5O10P.C18H25ClN5O10P/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;2*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;1-2-34-18(30)20(9-27,37(31,32)33)35-8-12-13(28)14(29)17(36-12)26-16-11(7-22-26)15(24-19(21)25-16)23-10-5-3-4-6-10;19-17-22-13(21-8-3-1-2-4-8)9-5-20-24(14(9)23-17)15-12(27)11(26)10(34-15)6-33-18(7-25,16(28)29)35(30,31)32/h7,12,14,16-17,20,29,31-32H,2-6,8-11H2,1H3,(H,25,26,27)(H2,33,34,35);2*5,10,12,14-15,18,27,30-31H,1-4,6-9H2,(H,28,29)(H,23,24,25)(H2,32,33,34);7,10,12-14,17,27-29H,2-6,8-9H2,1H3,(H,23,24,25)(H2,31,32,33);5,8,10-12,15,25-27H,1-4,6-7H2,(H,28,29)(H,21,22,23)(H2,30,31,32)/t14-,16-,17-,20-,22-;12-,14-,15-,18-,20+;12-,14-,15-,18-,20-;12-,13-,14-,17-,20?;10-,11-,12-,15-,18?/m11111/s1.

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

[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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 has a molecular weight of 2877.52 g/mol, XLogP of -1.89, 56 rotatable bonds, 33 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-ethoxy-3-hydroxy-1-oxopropan-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;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-phosphonopropanoic acid;2-[(2R)-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;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 is sourced from PubChem (CID 161407293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).