Calcium L-aspartate

C₄H₅CaNO₄CAS 21059-46-1171.16 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₅CaNO₄
Molar mass: 171.16 g/mol
Exact mass: 170.9844 Da
logP: -1.51Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

21059-46-1

SMILES

N[C@@H](CC([O-])=O)C([O-])=O.[Ca+2]

InChIKey

GYUKEMYHXWICKF-DKWTVANSSA-N

InChI

InChI=1S/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/t2-;/m0./s1

Weigh it out

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

Names and synonyms

4 names

L-Aspartic acid, calcium salt (1:?)
Aspartic acid, calcium salt, L-
L-Aspartic acid, calcium salt
Calcium aspartate

Work with Calcium L-aspartate

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

Magnesium hydrogen aspartate2068-80-679 % similar Magnesium aspartate tetrahydrate7018-07-771 % similar Potassium magnesium hydrogen DL-aspartate8076-65-158 % similar Calcium malate17482-42-756 % similar Zinc L-aspartate36393-20-155 % similar Monopotassium aspartate1115-63-549 % similar Potassium L-aspartate14007-45-549 % similar Monosodium aspartate3792-50-549 % similar

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

Same formula

Aspartic acid calcium salt (2:1)39162-75-9

Elsewhere

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