Disodium copper EDTA

C10H12CuN2Na2O8CAS 39208-15-6397.74 g/mol

Open in Covalent MOL file
OO−NNOO−OO−OO−Cu2+Na+Na+
Carboxylic acidTertiary amine

Properties

Molecular formula
C10H12CuN2Na2O8
Molar mass
397.74 g/mol
Exact mass
396.9685 Da
logP
-13.40Crippen estimate
Polar surface area
167.0 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
39208-15-6
SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Cu+2].[Na+].[Na+]
InChIKey
KCFCAUKZKOSSBI-UHFFFAOYSA-J
InChI
InChI=1S/C10H16N2O8.Cu.2Na/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);;;/q;+2;2*+1/p-4

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Names and synonyms

3 names
  • Cuprate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato-κN,κO]](4-)]-, sodium (1:2)
  • Cuprate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′]-, disodium
  • Cuprate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato-κN,κO]](4-)]-, disodium

Work with Disodium copper EDTA

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethylenediaminetetraacetic acid60-00-4Free acid Disodium ethylenediaminetetraacetate139-33-3Salt Tetrasodium EDTA64-02-8Salt Ferric sodium EDTA15708-41-5Salt Edetate calcium disodium anhydrous62-33-9Salt Trisodium EDTA150-38-9Salt Disodium zinc EDTA14025-21-9Salt Disodium zinc EDTA39208-16-7Salt Disodium manganese EDTA15375-84-5Salt Magnesium disodium EDTA14402-88-1Salt Dipotassium EDTA2001-94-7Salt Diammonium EDTA20824-56-0Salt

Similar compounds

Pentasodium pentetate140-01-283 % similar Trisodium nitrilotriacetate5064-31-371 % similar Trisodium HEDTA139-89-967 % similar Trisodium nitrilotriacetate monohydrate18662-53-863 % similar N-(2-Acetamido)iminodiacetic acid disodium salt41689-31-057 % similar Disodium nitrilotriacetate15467-20-655 % similar Gd-DTPA80529-93-752 % similar Gadoteric acid72573-82-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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