Molecule ID: 8949

IUPAC Name: magnesium;3-carboxy-3-hydroxypentanedioate

Description: The molecule is a magnesium salt composed of magnesium and dibasic citrate ions in a 1:1 ratio. It has a role as a laxative and a food acidity regulator. It contains a 3-carboxy-3-hydroxypentanedioate.

SMILES: O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Mg+2]

SELFIES: [O][=C][Branch1][C][O-1][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O].[Mg+2]

InChI: InChI=1S/C6H8O7.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: nan