Molecule ID: 6857381

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

Description: The molecule is a keto-D-gluconate that is the conjugate base of 2-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group. It is a 2-oxo monocarboxylic acid anion and a keto-D-gluconate. It derives from a D-gluconate. It is a conjugate base of a 2-dehydro-D-gluconic acid.

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

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

InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/p-1/t2-,3-,4+/m1/s1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -2.2