Molecule ID: 61888

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

Description: The molecule is an unspecified mixture of (2R)- and 2(S)-D-gluco-heptonic acid. It is a monocarboxylic acid and a carbohydrate acid. It is a conjugate acid of a (2xi)-D-gluco-heptonate.

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][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)/t2-,3-,4+,5-,6?/m1/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -4.0