3-(Methylsulfanyl)-D-Valine

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Properties Simple | Detailed

Formula C6H13NO2S
IUPAC Name (2s)-2-amino-3-methyl-3-methylsulfanyl-butanoic acid
Molecular Mass 163.238 g·mol−1
Heat of Formation -445.0 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 203.84 Å 3
Surface Area 187.09 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-methyl-3-(methylthio)butanoic acid
  • (2s)-2-amino-3-methyl-3-(methylthio)butyric acid
  • (2s)-2-amino-3-methyl-3-methylsulfanyl-butanoic acid
  • (2s)-2-amino-3-methyl-3-methylsulfanylbutanoic acid
InChIKey XSMLYGQTOGLZDA-BYPYZUCNSA-N
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