Molecule ID: 135398739

IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

Description: The molecule is a purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS. It has a role as an antimetabolite, a HIV-1 reverse transcriptase inhibitor, an antiviral drug and an EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor.

SMILES: OC[C@@H]1CC[C@H](n2cnc3c(O)ncnc32)O1

SELFIES: [O][C][C@@H1][C][C][C@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][Ring1][#C]

InChI: InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1

Molecular Properties:
- Polar Surface Area: 88.7 Ų
- LogP: -1.2