Ethylenediaminetetraacetic acid calcium disodium salt hydrate

Catalog Number	ACM23411349
CAS	23411-34-9
Structure
Synonyms	Calcium disodium ethylenediaminetetraacetate hydrate
Molecular Weight	410.3
Molecular Formula	C10H16CaN2Na2O10
Canonical SMILES	C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]
InChI	InChI=1S/C10H16N2O8.Ca.2Na.2H2O/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);2*1H2/q;+2;2*+1;/p-4
InChI Key	JCQNARRMQCMKAN-UHFFFAOYSA-J
Purity	98%+
Appearance	White to almost white powder to crystal
Exact Mass	410.0226241
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	2
Monoisotopic Mass	410.0226241
Rotatable Bond Count	7
Topological Polar Surface Area	169 Ų