Molecule ID: 91666451

IUPAC Name: (9S,10R)-10-hydroxy-9-phosphonatooxyoctadecanoate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (9S,10R)-10-hydroxy-9-(phosphonatooxy)octadecanoic acid; major species at pH 7.3. It is an organophosphate oxoanion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a (9S,10R)-10-hydroxy-9-(phosphonooxy)octadecanoic acid.

SMILES: CCCCCCCC[C@@H](O)[C@H](CCCCCCCC(=O)[O-])OP(=O)([O-])[O-]

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

InChI: InChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)/p-3/t16-,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: 4.5