3-[(2-Hydroxyethyl)Disulfanyl]-L-Alanine

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Properties Simple | Detailed

Formula C5H11NO3S2
IUPAC Name (2r)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoic acid
Molecular Mass 197.276 g·mol−1
Heat of Formation -555.4 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 222.88 Å 3
Surface Area 216.38 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoic acid
  • (2r)-2-amino-3-(2-hydroxyethyldisulfanyl)propionic acid
  • l-alanine, 3-((2-hydroxyethyl)dithio)-
  • l-cyssme
  • l-cysteine, mercaptoethanol mixed disulfide
  • s-(2-hydroxyethylmercapto)-l-cysteine
CAS Number(s)
  • 38254-63-6
InChIKey YPUBRSXDQSFQBA-BYPYZUCNSA-N
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