Molecule ID: 447805

IUPAC Name: (1S,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid

Description: The molecule is the D-erythro-stereoisomer of isocitric acid. It is a conjugate acid of a D-erythro-isocitrate(3-). It is an enantiomer of a L-erythro-isocitric acid.

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

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

InChI: InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -1.8