Molecule ID: 440352

IUPAC Name: (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid

Description: The molecule is a dioxo monocarboxylic acid that is the 4,5-dihydroxy-2,6-dioxo derivative of hexanoic acid having (4S,5S)-configuration. It is a dioxo monocarboxylic acid, a dihydroxy monocarboxylic acid and an aldehyde. It derives from a hexanoic acid. It is a conjugate acid of a (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate.

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

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

InChI: InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -2.1