Molecule ID: 24892803

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

Description: The molecule is a tricarboxylic acid that is pimelic acid carrying an additional carboxy substituent at position 3 as well as a hydroxy substituent at position 2 (the 2R,3S-diastereomer). It is a tricarboxylic acid and a secondary alcohol. It is a conjugate acid of a (-)-threo-isodihomocitrate(3-).

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

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

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)/t4-,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -1.1