Pentetate Calcium structure

Pentetate Calcium

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

Also Known As: Calcium DTPA, Calcium DIPA, Pentetic acid, Pentetate calcium, Ca-DTPA, Pentetic Acid Calcium, Calcium diethylene triamine pentaacetate, EINECS 219-790-5, Calcium diethylenetriaminepentaacetic acid, Diethylenetriaminepentaacetic acid, calcium salt, Calcium N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinate (1:1), GLYCINE, N,N-BIS(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-, CALCIUM SALT, calcium;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate, Calcium N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinate (1:1), Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-, calcium salt (1:1)

CAS: 2531-75-1
Molecular Formula C14H21CaN3O10
Molecular Weight 431.0853 g/mol
LogP -5.73
Topological Polar Surface Area 201.88 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
Rotatable Bonds 16
Exact Mass 431.0853
Heavy Atoms 28
Complexity 487

Chemical Identifiers

CAS Number 2531-75-1
SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Ca+2]

Product Overview

Pentetate Calcium (CAS 2531-75-1), with molecular formula C14H21CaN3O10 and molecular weight 431.0853 g/mol. IUPAC: calcium 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate.

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