Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium, hydrate (1:2:?), (OC-6-21)-

C10H14CaN2Na2O9CAS 23411-34-9392.28 g/mol

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H2OOO−NNOO−OO−OO−Ca2+Na+Na+
Carboxylic acidTertiary amine

Properties

Molecular formula
C10H14CaN2Na2O9
Molar mass
392.28 g/mol
Exact mass
392.0121 Da
logP
-14.61Crippen estimate
Polar surface area
198.5 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
23411-34-9
SMILES
O.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]
InChIKey
JHECKPXUCKQCSH-UHFFFAOYSA-J
InChI
InChI=1S/C10H16N2O8.Ca.2Na.H2O/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);;;;1H2/q;+2;2*+1;/p-4

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Names and synonyms

2 names
  • Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium, hydrate
  • Calciate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, disodium, hydrate, (OC-6-21)-

Work with Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium, hydrate (1:2:?), (OC-6-21)-

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.

Edetate calcium disodium anhydrous62-33-9Anhydrous Ethylenediaminetetraacetic acid60-00-4Free acid Disodium ethylenediaminetetraacetate139-33-3Salt Tetrasodium EDTA64-02-8Salt Ferric sodium EDTA15708-41-5Salt Trisodium EDTA150-38-9Salt Copper disodium EDTA14025-15-1Salt Disodium zinc EDTA14025-21-9Salt Disodium zinc EDTA39208-16-7Salt Disodium manganese EDTA15375-84-5Salt Magnesium disodium EDTA14402-88-1Salt Dipotassium EDTA2001-94-7Salt

Similar compounds

Pentasodium pentetate140-01-274 % similar Trisodium nitrilotriacetate monohydrate18662-53-874 % similar Trisodium nitrilotriacetate5064-31-363 % similar Trisodium HEDTA139-89-961 % similar Disodium propanedioate hydrate26522-85-052 % similar Sodium succinate hexahydrate6106-21-452 % similar N-(2-Acetamido)iminodiacetic acid disodium salt41689-31-052 % similar Disodium nitrilotriacetate15467-20-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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