Molecule ID: 146672110

IUPAC Name: (3R,4R)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Description: The molecule is a member of the class of glucoronic acids that is beta-D-glucuronic acid which has been dehydrogenated to introduce a double bond between positions 4 and 5. It is a member of glucuronic acids and an alpha,beta-unsaturated monocarboxylic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -1.8