Molecule ID: 71296187

IUPAC Name: (1R,2S)-1-hydroxypentane-1,2,5-tricarboxylate

Description: The molecule is a tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (-)-threo-isodihomocitric acid; major species at pH 7.3. It is a conjugate base of a (-)-threo-isodihomocitric acid.

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

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

InChI: InChI=1S/C8H12O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h4,6,11H,1-3H2,(H,9,10)(H,12,13)(H,14,15)/p-3/t4-,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 0.9