chempirical

Trisodium dicarboxymethyl alaninate

C7H8NNa3O6CAS 164462-16-2271.11 g/mol

Open in Covalent MOL file
O−ONO−OO−ONa+Na+Na+
Carboxylic acidTertiary amine

Properties

Molecular formula
C7H8NNa3O6
Molar mass
271.11 g/mol
Exact mass
271.0045 Da
logP
-2.21Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Identifiers

CAS number
164462-16-2
SMILES
CC(C([O-])=O)N(CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+]
InChIKey
SQKOOOSPGWXVRN-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;

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

Names and synonyms

5 names
  • Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3)
  • DL-Alanine, N,N-bis(carboxymethyl)-, trisodium salt
  • Alanine, N,N-bis(carboxymethyl)-, trisodium salt
  • DL-Alanine-N,N-diacetic acid trisodium salt
  • Dissolvine M 40

Work with Trisodium dicarboxymethyl alaninate

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

Glutamic acid diacetate tetrasodium salt51981-21-657 % similar Trisodium nitrilotriacetate5064-31-348 % similar Tetrasodium edta64-02-845 % similar Pentasodium pentetate140-01-244 % similar Trisodium nitrilotriacetate monohydrate18662-53-844 % similar L-Hydroxysuccinic acid disodium salt138-09-043 % similar Sodium malate22798-10-343 % similar Sodium malate676-46-043 % similar

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

Elsewhere

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