Molecule ID: 45266854

IUPAC Name: (3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate

Description: The molecule is the monocarboxylic acid anion obtained by removal of a proton from the carboxy groups of (2xi)-D-gluco-heptonic acid. It is a monocarboxylic acid anion and a carbohydrate acid anion. It is a conjugate base of a (2xi)-D-gluco-heptonic acid.

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

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

InChI: InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)/p-1/t2-,3-,4+,5-,6?/m1/s1

Molecular Properties:
- Polar Surface Area: 162.0 Ų
- LogP: -3.3