(2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol

C196H196F14N28O42 — CID 167532485

IUPAC(2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol
SMILESCc1ncnc2c1ncn2[C@@H]1O[C@H](COc2cccc(CCC3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[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]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]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[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]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4[C@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O
InChIInChI=1S/7C28H28F2N4O6/c7*1-15-21-25(32-13-31-15)34(14-33-21)26-23(36)22(35)20(40-26)12-39-17-6-4-5-16(11-17)9-10-27(38)19-8-3-2-7-18(19)24(37)28(27,29)30/h7*2-8,11,13-14,20,22-24,26,35-38H,9-10,12H2,1H3/t20-,22-,23-,24?,26-,27?;20-,22-,23-,24?,26-,27+;20-,22-,23-,24?,26-,27-;20-,22-,23-,24+,26-,27+;20-,22-,23-,24+,26-,27-;20-,22-,23-,24-,26-,27+;20-,22-,23-,24-,26-,27-/m1111111/s1
InChIKeyADSYPACIVIZNEA-HNGDIJOHSA-N
MW3881.85 g/mol
LogP16.35
Rot. Bonds49

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

(2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol (PubChem CID 167532485) has the molecular formula C196H196F14N28O42 and a molecular weight of 3881.85 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol
PubChem CID167532485
Molecular FormulaC196H196F14N28O42
Molecular Weight3881.85 g/mol
Exact Mass3879.38
IUPAC Name(2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol
SMILESCc1ncnc2c1ncn2[C@@H]1O[C@H](COc2cccc(CCC3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[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]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]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[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]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4[C@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O
InChIInChI=1S/7C28H28F2N4O6/c7*1-15-21-25(32-13-31-15)34(14-33-21)26-23(36)22(35)20(40-26)12-39-17-6-4-5-16(11-17)9-10-27(38)19-8-3-2-7-18(19)24(37)28(27,29)30/h7*2-8,11,13-14,20,22-24,26,35-38H,9-10,12H2,1H3/t20-,22-,23-,24?,26-,27?;20-,22-,23-,24?,26-,27+;20-,22-,23-,24?,26-,27-;20-,22-,23-,24+,26-,27+;20-,22-,23-,24+,26-,27-;20-,22-,23-,24-,26-,27+;20-,22-,23-,24-,26-,27-/m1111111/s1
InChIKeyADSYPACIVIZNEA-HNGDIJOHSA-N
XLogP16.35
TPSA1000.86 Ų
H-Bond Donors28
H-Bond Acceptors70
Rotatable Bonds49
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003881.85
LogP ≤ 516.35
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1070

Analyze (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol (CID 167532485) is (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol is Cc1ncnc2c1ncn2[C@@H]1O[C@H](COc2cccc(CCC3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](COc2cccc(CC[C@@]3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[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]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]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4C(O)C3(F)F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[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]1O[C@H](COc2cccc(CC[C@]3(O)c4ccccc4[C@H](O)C3(F)F)c2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol?
The InChIKey is ADSYPACIVIZNEA-HNGDIJOHSA-N. The full InChI is InChI=1S/7C28H28F2N4O6/c7*1-15-21-25(32-13-31-15)34(14-33-21)26-23(36)22(35)20(40-26)12-39-17-6-4-5-16(11-17)9-10-27(38)19-8-3-2-7-18(19)24(37)28(27,29)30/h7*2-8,11,13-14,20,22-24,26,35-38H,9-10,12H2,1H3/t20-,22-,23-,24?,26-,27?;20-,22-,23-,24?,26-,27+;20-,22-,23-,24?,26-,27-;20-,22-,23-,24+,26-,27+;20-,22-,23-,24+,26-,27-;20-,22-,23-,24-,26-,27+;20-,22-,23-,24-,26-,27-/m1111111/s1.
What are the key properties of (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol has a molecular weight of 3881.85 g/mol, XLogP of 16.35, 49 rotatable bonds, 28 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-[[3-[2-[(1R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3S)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-[(1S,3R)-2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl]ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[3-[2-(2,2-difluoro-1,3-dihydroxy-3H-inden-1-yl)ethyl]phenoxy]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 167532485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).