(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol)

C226H221F14N33O40 — CID 167683154

About (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol)

(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol) (PubChem CID 167683154) has the molecular formula C226H221F14N33O40 and a molecular weight of 4305.42 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol).

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol)
• PubChem CID: 167683154
• Molecular Formula: C226H221F14N33O40
• Molecular Weight: 4305.42 g/mol
• Exact Mass: 4302.61
• IUPAC Name: (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol)
• SMILES: Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4[C@@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4[C@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4[C@@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4[C@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COc2cccc(CCC3(O)c4ccccc4C(O)C3(F)F)c2)O1.Cc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COc2cccc(CCC3(O)c4ccccc4C(O)C3(F)F)c2)O1
• InChI: InChI=1S/5C34H33F2N5O6.2C28H28F2N4O5/c5*1-19-26-30(40-32(38-19)39-21-9-3-2-4-10-21)41(18-37-26)31-28(43)27(42)25(47-31)17-46-22-11-7-8-20(16-22)14-15-33(45)24-13-6-5-12-23(24)29(44)34(33,35)36;2*1-16-24-26(32-14-31-16)34(15-33-24)23-12-21(35)22(39-23)13-38-18-6-4-5-17(11-18)9-10-27(37)20-8-3-2-7-19(20)25(36)28(27,29)30/h5*2-13,16,18,25,27-29,31,42-45H,14-15,17H2,1H3,(H,38,39,40);2*2-8,11,14-15,21-23,25,35-37H,9-10,12-13H2,1H3/t25-,27-,28-,29?,31-,33-;25-,27-,28-,29+,31-,33+;25-,27-,28-,29+,31-,33-;25-,27-,28-,29-,31-,33+;25-,27-,28-,29-,31-,33-;2*21-,22+,23+,25?,27?/m1111100/s1
• InChIKey: VVCKKTXGZHSZNF-WZDAGTCPSA-N
• XLogP: 27.13
• TPSA: 1020.55 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 73
• Rotatable Bonds: 59
• Heavy Atoms: 313
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4305.42
LogP ≤ 5	27.13
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol)?

The IUPAC name of (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol) (CID 167683154) is (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol).

What is the SMILES notation for (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol)?

The canonical SMILES for (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol) is Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4[C@@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4[C@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4[C@@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4[C@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COc2cccc(CCC3(O)c4ccccc4C(O)C3(F)F)c2)O1.Cc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COc2cccc(CCC3(O)c4ccccc4C(O)C3(F)F)c2)O1.

What is the InChIKey of (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol)?

The InChIKey is VVCKKTXGZHSZNF-WZDAGTCPSA-N. The full InChI is InChI=1S/5C34H33F2N5O6.2C28H28F2N4O5/c5*1-19-26-30(40-32(38-19)39-21-9-3-2-4-10-21)41(18-37-26)31-28(43)27(42)25(47-31)17-46-22-11-7-8-20(16-22)14-15-33(45)24-13-6-5-12-23(24)29(44)34(33,35)36;2*1-16-24-26(32-14-31-16)34(15-33-24)23-12-21(35)22(39-23)13-38-18-6-4-5-17(11-18)9-10-27(37)20-8-3-2-7-19(20)25(36)28(27,29)30/h5*2-13,16,18,25,27-29,31,42-45H,14-15,17H2,1H3,(H,38,39,40);2*2-8,11,14-15,21-23,25,35-37H,9-10,12-13H2,1H3/t25-,27-,28-,29?,31-,33-;25-,27-,28-,29+,31-,33+;25-,27-,28-,29+,31-,33-;25-,27-,28-,29-,31-,33+;25-,27-,28-,29-,31-,33-;2*21-,22+,23+,25?,27?/m1111100/s1.

What are the key properties of (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol)?

(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol) has a molecular weight of 4305.42 g/mol, XLogP of 27.13, 59 rotatable bonds, 31 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-anilino-6-methylpurin-9-yl)-5-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]oxolane-3,4-diol;bis(2,2-difluoro-3-[2-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]ethyl]-1H-indene-1,3-diol) is sourced from PubChem (CID 167683154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).