Molecule ID: 23724633

IUPAC Name: (9S,10S)-10-hydroxy-9-phosphonooxyoctadecanoic acid

Description: The molecule is an optically active 9-(phosphonooxy)-10-hydroxy derivative of stearic acid with (9S,10S)-configuration. It is a carboxyalkyl phosphate and a hydroxyalkyl phosphate. It derives from an octadecanoic acid. It is a conjugate acid of a (9S,10S)-10-hydroxy-9-(phosphonatooxy)octadecanoate.

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][O][P][=Branch1][C][=O][Branch1][C][O][O]

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)/t16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: 4.0