4-(Methylsulfanyl)-D-Isovaline

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Properties Simple | Detailed

Formula C6H13NO2S
IUPAC Name (2r)-2-amino-2-methyl-4-methylsulfanyl-butanoic acid
Molecular Mass 163.238 g·mol−1
Heat of Formation -434.2 ± 16.7 kJ·mol−1
Dipole Moment 0.60 ± 1.08 D
Volume 205.41 Å 3
Surface Area 198.19 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 3.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-2-methyl-4-(methylthio)butanoic acid
  • (2r)-2-amino-2-methyl-4-(methylthio)butyric acid
  • (2r)-2-amino-2-methyl-4-methylsulfanyl-butanoic acid
  • (2r)-2-amino-2-methyl-4-methylsulfanylbutanoic acid
InChIKey ZYVMPHJZWXIFDQ-ZCFIWIBFSA-N
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