Ethylenediaminetetraacetic acid iron(III) sodium salt hydrate

Catalog Number	ACM149022264-2
CAS	149022-26-4
Structure
Synonyms	Sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);hydrate
Molecular Weight	385.06
Molecular Formula	C10H14FeN2NaO9
Canonical SMILES	C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Fe+3]
InChI	InChI=1S/C10H16N2O8.Fe.Na.H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H2/q;+3;+1;/p-4
InChI Key	QENAFDOIABJELJ-UHFFFAOYSA-J
Purity	90%
Exact Mass	384.994635
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Monoisotopic Mass	384.994635
Rotatable Bond Count	7
Topological Polar Surface Area	168 Ų