Molecule ID: 6323338

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

Description: The molecule is a hexaric acid derivative that is adipic acid substituted at position 2 by an oxo group and at positions 4 and 5 by hydroxy groups (the D-threo-stereoisomer). It is a conjugate acid of a 3-deoxy-D-threo-hex-2-ulosarate(2-).

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

SELFIES: [O][=C][Branch1][C][O][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)/t2-,4+/m1/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -2.1