Molecule ID: 9548606

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

Description: The molecule is the anion resulting from the removal of a proton from the carboxylic acid group of 5-dehydro-4-deoxy-D-glucuronic acid. It is a conjugate base of a 5-dehydro-4-deoxy-D-glucuronic acid.

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-1]

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)/p-1/t3-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: -1.5