Molecule ID: 86289950

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

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-3-phosphomevalonic 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 (R)-3-phosphomevalonic acid.

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

SELFIES: [C][C@@][Branch1][Ring2][C][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C6H13O7P/c1-6(2-3-7,4-5(8)9)13-14(10,11)12/h7H,2-4H2,1H3,(H,8,9)(H2,10,11,12)/p-3/t6-/m1/s1

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