Molecule ID: 24892804

IUPAC Name: (2R)-2-hydroxyhexane-1,2,6-tricarboxylic acid

Description: The molecule is a chiral tricarboxylic acid in which a central carbon carries hydroxy, carboxy, carboxymethyl and 4-carboxybutyl substituents with R-configuration at the chiral centre. It is a conjugate acid of a (2R)-trihomocitrate(3-).

SMILES: O=C(O)CCCC[C@@](O)(CC(=O)O)C(=O)O

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C@@][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H14O7/c10-6(11)3-1-2-4-9(16,8(14)15)5-7(12)13/h16H,1-5H2,(H,10,11)(H,12,13)(H,14,15)/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -0.9