Molecule ID: 53262377

IUPAC Name: (2S,3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate

Description: The molecule is a hexuronate that results from the removal of a proton from the carboxy group of 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid. It is a hexuronate and a monocarboxylic acid anion. It is a conjugate base of a 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid.

SMILES: O=C([O-])C1=C[C@H](O)[C@@H](O)[C@@H](O)O1

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][O][Ring1][=Branch2]

InChI: InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/p-1/t2-,4+,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: -1.1