3-Hydroxybutanoic acid magnesium salt

C₈H₁₄MgO₆CAS 586976-57-0230.50 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₈H₁₄MgO₆
Molar mass: 230.50 g/mol
Exact mass: 230.0641 Da
logP: -3.37Crippen estimate
Polar surface area: 120.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

586976-57-0

SMILES

CC(CC(=O)[O-])O.CC(CC(=O)[O-])O.[Mg+2]

InChIKey

ZIMQIJFHENOQDO-UHFFFAOYSA-L

InChI

InChI=1S/2C4H8O3.Mg/c2*1-3(5)2-4(6)7;/h2*3,5H,2H2,1H3,(H,6,7);/q;;+2/p-2

Weigh it out

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Names and synonyms

1 names

Magnesium 3-hydroxybutyrate

Work with 3-Hydroxybutanoic acid magnesium salt

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Beta-hydroxybutyric acid300-85-6Free acid (R)-3-Hydroxybutyric acid625-72-9Free acid, defined stereoisomer L-3-Hydroxybutyric acid6168-83-8Free acid, defined stereoisomer 3-Hydroxybutyric acid625-71-8Free acid Sodium 3-hydroxybutyrate150-83-4Salt Sodium 3-hydroxybutyrate306-31-0Salt

Similar compounds

Magnesium malate869-06-753 % similar Gadoteridol120066-54-847 % similar (±)-Carnitine461-06-343 % similar (+)-Carnitine541-14-043 % similar (-)-Carnitine541-15-143 % similar Methyl (-)-3-hydroxybutyrate3976-69-042 % similar Methyl (+)-3-hydroxybutanoate53562-86-042 % similar (T-4)-Bis[2-(hydroxy-κO)propanoato-κO]magnesium18917-93-641 % similar

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

Elsewhere

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