Molecule ID: 24802254

IUPAC Name: (2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoate

Description: The molecule is a carbohydrate acid anion that is the conjugate base of 5-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a carbohydrate acid anion and a monocarboxylic acid anion. It is a conjugate base of a 5-dehydro-D-gluconic acid.

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

SELFIES: [O][=C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)/p-1/t3-,4+,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -2.3