Molecule ID: 86289945

IUPAC Name: [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-hydroxyphenyl)oxolan-2-yl]methyl phosphate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(5-O-phospho-beta-D-ribofuranosyl)phenol; major species at pH 7.3. It derives from a D-ribofuranose 5-phosphate(2-). It is a conjugate base of a 4-(5-O-phospho-beta-D-ribofuranosyl)phenol.

SMILES: O=P([O-])(O)OC[C@H]1O[C@@H](c2ccc([O-])cc2)[C@H](O)[C@@H]1O

SELFIES: [O][=P][Branch1][C][O-1][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][C@H1][Branch1][C][O][C@@H1][Ring1][=N][O]

InChI: InChI=1S/C11H15O8P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-14H,5H2,(H2,15,16,17)/p-2/t8-,9-,10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: -2.1