chempirical

Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate

C10H20N2Na4O12CAS 13235-36-4452.23 g/mol

Open in Covalent MOL file
O−ONNO−OO−OO−OH2OH2OH2OH2ONa+Na+Na+Na+
Carboxylic acidTertiary amine

Properties

Molecular formula
C10H20N2Na4O12
Molar mass
452.23 g/mol
Exact mass
452.0607 Da
logP
-6.89Crippen estimate
Polar surface area
281.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
11

Identifiers

CAS number
13235-36-4
SMILES
[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
InChIKey
OHHLQFCWNFSQEY-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O8.4Na.4H2O/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);;;;;4*1H2

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Names and synonyms

4 names
  • Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt, hydrate (1:4:4)
  • Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt, tetrahydrate
  • Ethylenediamine-N,N,N′,N′-tetraacetic acid tetrasodium salt, tetrahydrate
  • Ethylene diamine tetraacetic acid tetrasodium tetrahydrate

Work with Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate

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

Similar compounds

Tetrasodium ethylenediaminetetraacetate dihydrate10378-23-1100 % similar Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt, trihydrate67401-50-7100 % similar Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium, hydrate (1:2:?), (oc-6-21)-23411-34-988 % similar Tetrasodium edta64-02-887 % similar Pentasodium pentetate140-01-283 % similar Trisodium nitrilotriacetate monohydrate18662-53-883 % similar Copper disodium edta14025-15-177 % similar Disodium zinc edta14025-21-977 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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