S-(2-Acetamidoethyl) Hexadecanethioate

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Properties Simple | Detailed

Formula C20H39NO2S
IUPAC Name s-(2-acetamidoethyl) hexadecanethioate
Molecular Mass 357.594 g·mol−1
Heat of Formation -710.9 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 506.51 Å 3
Surface Area 480.91 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • c16-fatty-acyl-substrate-mimic
  • hexadecanethioic acid s-(2-acetamidoethyl) ester
  • th3
  • trans-2-hexadecenoyl-(n-acetyl-cysteamine)-thioester
InChIKey GDVZALUOXPTSHD-UHFFFAOYSA-N
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