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

Open in Covalent MOL file

Carboxylic acid Tertiary 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 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 11

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

Tetrasodium ethylenediaminetetraacetate dihydrate10378-23-188 % similar Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate13235-36-488 % similar Calcium disodium edta62-33-988 % similar Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt, trihydrate67401-50-788 % similar Tetrasodium edta64-02-877 % similar Pentasodium pentetate140-01-274 % similar Trisodium nitrilotriacetate monohydrate18662-53-874 % similar Disodium edta dihydrate6381-92-670 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook