Calcium citrate tetrahydrate

Catalog Number	ACM5785444-2
CAS	5785-44-4
Structure
Synonyms	Citracal
Molecular Weight	570.5
Molecular Formula	C12H18Ca3O18
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
Purity	96%
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