Molecule ID: 24802252

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

Description: The molecule is a ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 3 has been oxidised to the corresponding ketone. It is a keto-D-gluconic acid, a 3-oxo monocarboxylic acid and a hydroxy monocarboxylic acid. It derives from a D-gluconic acid. It is a conjugate acid of a 3-dehydro-D-gluconate.

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

SELFIES: [O][=C][Branch1][C][O][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)/t2-,3-,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -2.8