(2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid

C98H132Cl6N25O41P5S5 — CID 157401560

About (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid

(2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid (PubChem CID 157401560) has the molecular formula C98H132Cl6N25O41P5S5 and a molecular weight of 2844.19 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid.

Molecular Properties

• Compound Name: (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
• PubChem CID: 157401560
• Molecular Formula: C98H132Cl6N25O41P5S5
• Molecular Weight: 2844.19 g/mol
• Exact Mass: 2839.44
• IUPAC Name: (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid
• SMILES: COCCN(c1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O)C1CCCC1.C[C@@H]1CCC[C@@H]1Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O.C[C@H]1CCC[C@H]1Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(N[C@@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=P1(CS(=O)(=O)C[C@H]2O[C@@H](n3ncc4c(NC5CCCC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)OCC[C@@H](c2cccc(Cl)c2)O1
• InChI: InChI=1S/C25H30Cl2N5O8PS.C20H23ClN5O8PS.C19H29ClN5O9PS.2C17H25ClN5O8PS/c26-15-5-3-4-14(10-15)18-8-9-38-41(35,40-18)13-42(36,37)12-19-20(33)21(34)24(39-19)32-23-17(11-28-32)22(30-25(27)31-23)29-16-6-1-2-7-16;21-20-24-17(23-13-6-5-10-3-1-2-4-11(10)13)12-7-22-26(18(12)25-20)19-16(28)15(27)14(34-19)8-36(32,33)9-35(29,30)31;1-33-7-6-24(11-4-2-3-5-11)16-12-8-21-25(17(12)23-19(20)22-16)18-15(27)14(26)13(34-18)9-36(31,32)10-35(28,29)30;2*1-8-3-2-4-10(8)20-14-9-5-19-23(15(9)22-17(18)21-14)16-13(25)12(24)11(31-16)6-33(29,30)7-32(26,27)28/h3-5,10-11,16,18-21,24,33-34H,1-2,6-9,12-13H2,(H,29,30,31);1-4,7,13-16,19,27-28H,5-6,8-9H2,(H,23,24,25)(H2,29,30,31);8,11,13-15,18,26-27H,2-7,9-10H2,1H3,(H2,28,29,30);2*5,8,10-13,16,24-25H,2-4,6-7H2,1H3,(H,20,21,22)(H2,26,27,28)/t18-,19+,20+,21+,24+,41?;13-,14-,15-,16-,19-;13-,14-,15-,18-;8-,10+,11+,12+,13+,16+;8-,10+,11-,12-,13-,16-/m01101/s1
• InChIKey: BNFOBZNAKSASBJ-CEUYWPIGSA-N
• XLogP: 5.14
• TPSA: 963.39 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 58
• Rotatable Bonds: 39
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2844.19
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The IUPAC name of (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid (CID 157401560) is (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid.

What is the SMILES notation for (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The canonical SMILES for (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid is COCCN(c1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O)C1CCCC1.C[C@@H]1CCC[C@@H]1Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O.C[C@H]1CCC[C@H]1Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ncc3c(N[C@@H]4CCc5ccccc54)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=P1(CS(=O)(=O)C[C@H]2O[C@@H](n3ncc4c(NC5CCCC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)OCC[C@@H](c2cccc(Cl)c2)O1.

What is the InChIKey of (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

The InChIKey is BNFOBZNAKSASBJ-CEUYWPIGSA-N. The full InChI is InChI=1S/C25H30Cl2N5O8PS.C20H23ClN5O8PS.C19H29ClN5O9PS.2C17H25ClN5O8PS/c26-15-5-3-4-14(10-15)18-8-9-38-41(35,40-18)13-42(36,37)12-19-20(33)21(34)24(39-19)32-23-17(11-28-32)22(30-25(27)31-23)29-16-6-1-2-7-16;21-20-24-17(23-13-6-5-10-3-1-2-4-11(10)13)12-7-22-26(18(12)25-20)19-16(28)15(27)14(34-19)8-36(32,33)9-35(29,30)31;1-33-7-6-24(11-4-2-3-5-11)16-12-8-21-25(17(12)23-19(20)22-16)18-15(27)14(26)13(34-18)9-36(31,32)10-35(28,29)30;2*1-8-3-2-4-10(8)20-14-9-5-19-23(15(9)22-17(18)21-14)16-13(25)12(24)11(31-16)6-33(29,30)7-32(26,27)28/h3-5,10-11,16,18-21,24,33-34H,1-2,6-9,12-13H2,(H,29,30,31);1-4,7,13-16,19,27-28H,5-6,8-9H2,(H,23,24,25)(H2,29,30,31);8,11,13-15,18,26-27H,2-7,9-10H2,1H3,(H2,28,29,30);2*5,8,10-13,16,24-25H,2-4,6-7H2,1H3,(H,20,21,22)(H2,26,27,28)/t18-,19+,20+,21+,24+,41?;13-,14-,15-,16-,19-;13-,14-,15-,18-;8-,10+,11+,12+,13+,16+;8-,10+,11-,12-,13-,16-/m01101/s1.

What are the key properties of (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid?

(2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid has a molecular weight of 2844.19 g/mol, XLogP of 5.14, 39 rotatable bonds, 22 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methylsulfonylmethyl]oxolane-3,4-diol;[(2S,3S,4R,5R)-5-[6-chloro-4-[cyclopentyl(2-methoxyethyl)amino]pyrazolo[5,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1S,2R)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid;[(2S,3S,4R,5R)-5-[6-chloro-4-[[(1R,2S)-2-methylcyclopentyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfonylmethylphosphonic acid is sourced from PubChem (CID 157401560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).