chempirical

Magnesium hydrogen aspartate

C4H5MgNO4CAS 2068-80-6155.39 g/mol

Open in Covalent MOL file
NH2O−OO−OMg2+
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H5MgNO4
Molar mass
155.39 g/mol
Exact mass
155.0069 Da
logP
-1.51Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2068-80-6
SMILES
N[C@@H](CC([O-])=O)C([O-])=O.[Mg+2]
InChIKey
ISYHFARMUCCYDZ-DKWTVANSSA-N
InChI
InChI=1S/C4H7NO4.Mg/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/t2-;/m0./s1

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Names and synonyms

2 names
  • L-Aspartic acid, magnesium salt (2:1)
  • Aspartic acid, magnesium salt (2:1), L-

Work with Magnesium hydrogen 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 aspartate tetrahydrate7018-07-789 % similar Calcium L-aspartate21059-46-179 % similar Aspartic acid calcium salt (2:1)39162-75-979 % similar Potassium magnesium hydrogen DL-aspartate8076-65-171 % similar Zinc L-aspartate36393-20-159 % similar Magnesium malate869-06-756 % similar Monopotassium aspartate1115-63-549 % similar Potassium L-aspartate14007-45-549 % similar

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

Elsewhere

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