Molecule ID: 53321658

IUPAC Name: (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxooxane-2-carboxylic acid

Description: The molecule is an aldarolactone formed via intramolecular cyclocondensation of galactaric acid. It has a role as a bacterial xenobiotic metabolite. It is an aldarolactone and a carbohydrate acid. It derives from a galactaric acid. It is a conjugate acid of a D-galactaro-1,5-lactone(1-).

SMILES: O=C(O)[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@H]1O

SELFIES: [O][=C][Branch1][C][O][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O]

InChI: InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -1.8