Molecule ID: 51578623

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

Description: The molecule is a ketogluconate that is the conjugate base of 5-dehydro-L-gluconic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3 It is a ketogluconate and a monocarboxylic acid anion. It is a conjugate base of a 5-dehydro-L-gluconic acid.

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

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

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-/m0/s1

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