Iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;hydrate

Catalog Number	ACM699014534-1
CAS	699014-53-4
Structure
Synonyms	Iron(II) gluconate hydrate
Molecular Weight	466.17
Molecular Formula	C12H26FeO15
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.[Fe]
InChI	InChI=1S/2C6H12O7.Fe.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);1H2/t2*2-,3-,4+,5-;/m11/s1
InChI Key	HLBWMQJLOGMNBR-XRDLMGPZSA-N
Purity	98%+
Exact Mass	466.062106
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	13
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.[Fe]
Monoisotopic Mass	466.062106
Rotatable Bond Count	10
Topological Polar Surface Area	278 Ų