(+)-L-Alliin

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Properties Simple | Detailed

Formula C6H11NO3S
IUPAC Name (2r)-3-[(s)-allylsulfinyl]-2-amino-propanoic acid
Molecular Mass 177.221 g·mol−1
Heat of Formation -435.7 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 210.88 Å 3
Surface Area 205.92 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 3.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[(s)-prop-2-enylsulfinyl]propanoic acid
  • (2r)-3-[(s)-allylsulfinyl]-2-amino-propanoic acid
  • (2r)-3-[(s)-allylsulfinyl]-2-amino-propionic acid
  • (2r)-3-[(s)-allylsulfinyl]-2-aminopropanoic acid
  • (s)-3-(allylsulphinyl)-l-alanine
  • (s)-s-allyl-l-cysteine sulfoxide
  • 3-(allylsulfinyl)alanin
  • l-alanine, 3-(2-propenylsulfinyl)-, (s)-
  • l-alanine, 3-[(s)-2-propenylsulfinyl]-
  • s-allyl-l-cystein-s-oxid
InChIKey XUHLIQGRKRUKPH-DYEAUMGKSA-N
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