Molecule ID: 135956774

IUPAC Name: [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl] dihydrogen phosphate

Description: The molecule is an inosine phosphate having a monophosphate group located at the 3'-position. It is an inosine phosphate and a purine ribonucleoside 3'-monophosphate.

SMILES: O=P(O)(O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(O)ncnc32)O[C@@H]1CO

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

InChI: InChI=1S/C10H13N4O8P/c15-1-4-7(22-23(18,19)20)6(16)10(21-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 176.0 Ų
- LogP: -3.0