Molecule ID: 24802251

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

Description: The molecule is a keto-D-gluconate that is the conjugate base of 3-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group. It is a keto-D-gluconate and a 3-oxo monocarboxylic acid anion. It is a conjugate base of a 3-dehydro-D-gluconic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][C@H1][Branch1][C][O][C][=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/h2-3,5,7-9,11H,1H2,(H,12,13)/p-1/t2-,3-,5-/m1/s1

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