Octyl L-Cysteinate

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Properties Simple | Detailed

Formula C11H23NO2S
IUPAC Name octyl (2r)-2-amino-3-sulfanyl-propanoate
Molecular Mass 233.371 g·mol−1
Heat of Formation -515.2 ± 16.7 kJ·mol−1
Dipole Moment 0.80 ± 1.08 D
Volume 315.4 Å 3
Surface Area 303.95 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-mercapto-propionic acid octyl ester
  • (2r)-2-amino-3-mercaptopropanoic acid octyl ester
  • octyl (2r)-2-amino-3-sulfanyl-propanoate
InChIKey PZPIGHAWKQWPMA-JTQLQIEISA-N
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