chempirical

Methionine hydroxy analog-calcium

C10H18CaO6S2CAS 4857-44-7338.45 g/mol

Open in Covalent MOL file
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

Identifiers

CAS number
4857-44-7
SMILES
CSCCC(O)C([O-])=O.CSCCC(O)C([O-])=O.[Ca+2]
InChIKey
YQPLPYVXYDIYES-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O3S.Ca/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);

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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

Similar compounds

2-Hydroxy-4-(methylthio)butyric acid583-91-556 % similar 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

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

Elsewhere

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