Calcium citrate tetrahydrate

• CAS: 5785-44-4
• Catalog Number: ACM5785444-2
• Category: Other Products
• Molecular Weight: 570.5
• Molecular Formula: C12H18Ca3O18
• Synonyms: Citracal
• Canonical SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Ca+2].[Ca+2].[Ca+2]
• InChI: InChI=1S/2C6H8O7.3Ca.4H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4*1H2/q;3*+2;/p-6
• InChI Key: LNIZKKFWMDARJV-UHFFFAOYSA-H
• Appearance: Liquid
• Exact Mass: 569.9370863
• Hydrogen Bond Acceptor Count: 18
• Hydrogen Bond Donor Count: 6
• Monoisotopic Mass: 569.9370863
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 285 Ų