Molecule ID: 56927780

IUPAC Name: (4S,5R)-4-hydroxy-2,6-dioxo-5-sulfonatooxyhexanoate

Description: The molecule is an organosulfate oxoanion that is 5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid in which a proton has been removed from both the carboxy and the sulfate group. It is an organosulfate oxoanion, a carbohydrate acid derivative anion and a monocarboxylic acid anion. It is a conjugate base of a 5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid.

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

SELFIES: [O][=C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H8O9S/c7-2-5(15-16(12,13)14)3(8)1-4(9)6(10)11/h2-3,5,8H,1H2,(H,10,11)(H,12,13,14)/p-2/t3-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: -1.9