Molecule ID: 49859611

IUPAC Name: (2R)-2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoate

Description: The molecule is trianion of (R)-5-phosphopantoic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3 It is a hydroxy monocarboxylic acid anion and an organophosphate oxoanion. It is a conjugate base of a (R)-4-phosphopantoic acid.

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

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

InChI: InChI=1S/C6H13O7P/c1-6(2,4(7)5(8)9)3-13-14(10,11)12/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)/p-3/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -0.9