chempirical

Magnesium malate

C4H4MgO5CAS 869-06-7156.38 g/mol

Open in Covalent MOL file
O−OOHO−OMg2+
AlcoholCarboxylic acid

Properties

Molecular formula
C4H4MgO5
Molar mass
156.38 g/mol
Exact mass
155.9909 Da
logP
-1.47Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
869-06-7
SMILES
[O-]C(=O)CC(O)C([O-])=O.[Mg+2]
InChIKey
SLSSJIXQBCBABG-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O5.Mg/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);

Weigh it out

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

Names and synonyms

3 names
  • Butanedioic acid, 2-hydroxy-, magnesium salt (1:1)
  • Butanedioic acid, hydroxy-, magnesium salt (1:1)
  • Malic acid magnesium salt (1:1)

Work with Magnesium malate

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

L-Hydroxysuccinic acid disodium salt138-09-079 % similar Calcium malate17482-42-779 % similar Sodium malate22798-10-379 % similar Sodium malate676-46-079 % similar Magnesium hydrogen aspartate2068-80-656 % similar Pentanedioic acid, 2-hydroxy-, sodium salt (1:2), (2R)-103404-90-653 % similar Magnesium aspartate tetrahydrate7018-07-751 % similar Trisodium isocitrate1637-73-647 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia