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)
| 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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