(2R,3S)-3-Acetoxy-1,4-Bis(Acetylsulfanyl)-2-Butanyl Acetate

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Properties Simple | Detailed

Formula C12H18O6S2
IUPAC Name [(1s,2r)-2-acetoxy-3-acetylsulfanyl-1-(acetylsulfanylmethyl)propyl] acetate
Molecular Mass 322.398 g·mol−1
Heat of Formation -1175.2 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 370.45 Å 3
Surface Area 305.52 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry Ci
Synonyms
  • [(1s,2r)-2-acetoxy-3-acetylsulfanyl-1-(acetylsulfanylmethyl)propyl] acetate
  • [(2s,3r)-3-acetyloxy-1,4-bis(acetylsulfanyl)butan-2-yl] acetate
  • [(2s,3r)-3-acetyloxy-1,4-bis(ethanoylsulfanyl)butan-2-yl] ethanoate
  • acetic acid [(1s,2r)-2-acetoxy-3-(acetylthio)-1-[(acetylthio)methyl]propyl] ester
  • dithiothreitol tetraacetate
  • dtt-ac
  • ethanethioic acid, s,s'-(2,3-bis(acetyloxy)-1,4-butanediyl) ester, (r*,s*)-
  • ethanethioic acid, s,s'-(2,3-bis(acetyloxy)-1,4-butanediyl) ester, (theta,s)-
CAS Number(s)
  • 37180-63-5
InChIKey ZAXMKKSKBGKALJ-TXEJJXNPSA-N
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