Molecule ID: 21145097

IUPAC Name: (4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoate

Description: The molecule is a dioxo monocarboxylic acid anion that is the conjugate base of 2,3-diketogulonic acid, and the major species at pH 7.3. It has a role as a human metabolite. It is a dioxo monocarboxylic acid anion, a hydroxy monocarboxylic acid anion and a carbohydrate acid anion. It is a conjugate base of a 2,3-diketogulonic acid.

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

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

InChI: InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/p-1/t2-,3+/m0/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -1.7