Molecule ID: 6116

IUPAC Name: calcium;diacetate

Description: The molecule is the calcium salt of acetic acid. It is used, commonly as a hydrate, to treat hyperphosphataemia (excess phosphate in the blood) in patients with kidney disease: the calcium ion combines with dietary phosphate to form (insoluble) calcium phosphate, which is excreted in the faeces. It has a role as a chelator. It contains an acetate.

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

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

InChI: InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: nan