Ferrous gluconate dihydrate

Catalog Number	ACM6047127-1
CAS	6047-12-7
Structure
Synonyms	Gluconic acid, iron(2+) salt, dihydrate
Molecular Weight	482.17
Molecular Formula	C12H26FeO16
Canonical SMILES	C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.O.[Fe+2]
InChI	InChI=1S/2C6H12O7.Fe.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);2*1H2/q;+2;/p-2/t2*2-,3-,4+,5-;/m1/s1
InChI Key	OKGNXSFAYMSVNN-SYAJEJNSSA-L
Purity	98%
Complexity	165
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	8
Exact Mass	482.05702
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	12
Isomeric SMILES	C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.O.[Fe+2]
Monoisotopic Mass	482.05702
Rotatable Bond Count	8
Topological Polar Surface Area	285 Ų