Molecule ID: 5460049

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

Description: The molecule is a hexuronic acid that results from hydrolytic ring cleavage of the hemiacetal group of 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid with subsequent tautomerisation of the resulting enol to the corresponding ketone. It is a hexuronic acid and an aldehyde. It is a conjugate acid of a 5-dehydro-4-deoxy-D-glucuronate.

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