Pentetate calcium trisodium

calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate

CAS: 12111-24-9

Molecular Formula	`C14H18CaN3Na3O10`
Molecular Weight	497.35 g/mol
Topological Polar Surface Area	210.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	13
Rotatable Bonds	11
Exact Mass	497.03113
Heavy Atoms	31
Complexity	454.0

Chemical Identifiers

CAS Number	12111-24-9
SMILES	`C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2]`
InChIKey	`AYFCVLSUPGCQKD-UHFFFAOYSA-I`

📖 Product Overview

Pentetate calcium trisodium (CAS: 12111-24-9) is a chemical compound with molecular formula C14H18CaN3Na3O10 and molecular weight 497.35 g/mol. Its IUPAC systematic name is calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate. Topological Polar Surface Area 210.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 13 Rotatable Bonds 11 Exact Mass 497.03113 Heavy Atoms 31 Complexity 454.0 InChI Key: AYFCVLSUPGCQKD-UHFFFAOYSA-I. SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2].

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