Molecule ID: 46926210

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

Description: The molecule is a carbohydrate acid anion that is the conjugate base of D-glucaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a D-glucaro-1,5-lactone.

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

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1/t1-,2-,3+,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -1.1