Molecule ID: 91828275

IUPAC Name: (4S)-4-hydroxy-2-oxoheptanedioate

Description: The molecule is a 4-hydroxy-2-oxoheptanedioate obtained by deprotonation of both carboxy groups of (S)-4-hydroxy-2-oxoheptanedioic acid; major species at pH 7.3. It is a conjugate base of a (S)-4-hydroxy-2-oxoheptanedioic acid.

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

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

InChI: InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/p-2/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 0.1