Molecule ID: 86289408

IUPAC Name: (2R,4R,5R,6S)-4,5-dihydroxy-6-[(1R)-2-hydroxy-1-methoxyethyl]-2-prop-2-enoxyoxane-2-carboxylate

Description: The molecule is the carbohydrate acid derivative anion formed from (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid by proton loss from the carboxy group. It is a conjugate base of an (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid.

SMILES: C=CCO[C@]1(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@@H](CO)OC)O1

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

InChI: InChI=1S/C12H20O8/c1-3-4-19-12(11(16)17)5-7(14)9(15)10(20-12)8(6-13)18-2/h3,7-10,13-15H,1,4-6H2,2H3,(H,16,17)/p-1/t7-,8-,9-,10-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -1.0