Molecule ID: 53262282

IUPAC Name: (2R,3S)-2,3-dihydroxy-5-oxohexanedioate;hydron

Description: The molecule is a dicarboxylic acid monoanion obtained by removal of a proton from one of the carboxylic acid groups of 5-dehydro-4-deoxy-D-glucaric acid. It derives from a D-glucarate(1-). It is a conjugate base of a 5-dehydro-4-deoxy-D-glucaric acid. It is a conjugate acid of a 5-dehydro-4-deoxy-D-glucarate(2-).

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

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

InChI: InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-1/t2-,4+/m0/s1

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