Molecule ID: 126456491

IUPAC Name: (2R)-2-hydroxy-3-oxo-4-phosphonooxybutanoic acid

Description: The molecule is the ketoaldonic acid phosphate formed formally from D-erythronic acid by oxidation of the 3-hydroxy group to an oxo group and phosphorylation at the 1-hydroxy group. It is a conjugate acid of a (R)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-). It is an enantiomer of a (S)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid.

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

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

InChI: InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h3,6H,1H2,(H,7,8)(H2,9,10,11)/t3-/m1/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -2.7