Methionine hydroxy analog-calcium

C10H18CaO6S2CAS 4857-44-7338.45 g/mol

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SOHO−OSOHO−OCa2+
AlcoholCarboxylic acidSulfide

Properties

Molecular formula
C10H18CaO6S2
Molar mass
338.45 g/mol
Exact mass
338.0171 Da
logP
-0.20Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

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

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Identifiers

CAS number
4857-44-7
SMILES
CSCCC(O)C([O-])=O.CSCCC(O)C([O-])=O.[Ca+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

13 names · show all
  • Butanoic acid, 2-hydroxy-4-(methylthio)-, calcium salt (2:1)
  • Butyric acid, 2-hydroxy-4-(methylthio)-, calcium salt (2:1)
  • Calcium α-hydroxy-γ-methylmercaptobutyrate
  • MHA
  • DL-Methioninehydroxyanalog calcium
  • Calcium DL-2-hydroxy-4-methylthiobutyrate
  • Hydan
  • Hydan (methionine hydroxy analog)
  • Calcium DL-α-hydroxy-γ-methylthiobutyrate
  • NSC 1230
  • Methionine hydroxyl analog calcium salt
  • MHA 84
  • D-L-α-Hydroxylmethionine calcium

Work with Methionine hydroxy analog-calcium

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.

2-Hydroxy-4-(methylthio)butyric acid583-91-5Free acid

Similar compounds

Calcium 4-methyl-2-hydroxypentanoate93778-33-753 % similar Calcium malate17482-42-750 % similar Pentanedioic acid, 2-hydroxy-, sodium salt (1:2), (2R)-103404-90-644 % similar Sodium α-hydroxybutyrate5094-24-643 % similar Calcium L-lactate28305-25-143 % similar Calcium lactate814-80-243 % similar Calcium tartrate3164-34-942 % similar Zinc methionine sulfate56329-42-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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