Ferric pyrophosphate citrate

Catalog Number	ACM1802359961
CAS	1802359-96-1
Synonyms	Hydron;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);phosphonato phosphate
Molecular Weight	1321.6
Molecular Formula	C18H24Fe4O42P6
Canonical SMILES	[H+].[H+].[H+].[H+].[H+].[H+].[H+].[H+].[H+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.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-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
InChI	InChI=1S/3C6H8O7.4Fe.3H4O7P2/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-8(2,3)7-9(4,5)6/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*(H2,1,2,3)(H2,4,5,6)/q;4*+3;/p-12
InChI Key	SXAWSYZURCZSDX-UHFFFAOYSA-B
Purity	97%
Complexity	335
Covalently-Bonded Unit Count	19
Defined Atom Stereocenter Count	0
Exact Mass	1321.55653
Heavy Atom Count	70
Hydrogen Bond Acceptor Count	42
Hydrogen Bond Donor Count	12
Monoisotopic Mass	1321.55653
Rotatable Bond Count	6
Topological Polar Surface Area	829 Ų