Molecule ID: 86289498

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

Description: The molecule is a hexaric acid anion obtained by deprotonation of the two carboxy groups of 3-deoxy-D-threo-hex-2-ulosaric acid; major species at pH 7.3. It is a conjugate base of a 3-deoxy-D-threo-hex-2-ulosaric acid.

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-1]

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-2/t2-,4+/m1/s1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -0.8