Molecule ID: 25244548

IUPAC Name: (3R)-3-hydroxy-3-methyl-5-phosphonatooxypentanoate

Description: The molecule is trianion of (R)-5-phosphomevalonic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an organophosphate oxoanion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a (R)-5-phosphomevalonic acid.

SMILES: C[C@@](O)(CCOP(=O)([O-])[O-])CC(=O)[O-]

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

InChI: InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/p-3/t6-/m1/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -1.6