Synonyms
KS-00000Y3E; 149022-26-4; Ethylenediaminetetraacetic acid monosodium ferric salt hydrate; Ethylenediaminetetraacetic acid iron(III) sodium salt hydrate; Ethylenediaminetetraacetic acid, iron(III) sodium salt hydrate; Ethylenediamidetetraacetic acid monosodium ferric salt hydrate; MFCD09037356; ethylenediaminetetraacetic acid hydrate iron(iii) sodium salt; DTXSID90583610;
IUPAC Name
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);hydrate;
Molecular Weight
385.062g/mol
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;
Complexity
293
Covalently-Bonded Unit Count
4
Exact Mass
384.995g/mol
H-Bond Acceptor
11
H-Bond Donor
1
Heavy Atom Count
23
Monoisotopic Mass
384.995g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
168A^2
