(1E,3R,4S)-1-{(2S,3S)-3-[(2R,3S)-3-Acetoxy-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]-2-Oxiranyl}-1-Pentene-3,4-Diyl Diacetate

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Properties Simple | Detailed

Formula C18H22O9
IUPAC Name [(2r,3s)-2-[(2s,3s)-3-[(e,3r,4s)-3,4-diacetoxypent-1-enyl]oxiran-2-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
Molecular Mass 382.362 g·mol−1
Heat of Formation -1438.8 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 444.91 Å 3
Surface Area 365.8 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • [(e,1s,2r)-2-acetoxy-4-[(2s,3s)-3-[(2r,3s)-3-acetoxy-6-oxo-2,3-dihydropyran-2-yl]oxiran-2-yl]-1-methyl-but-3-enyl] acetate
  • [(e,2s,3r)-3-acetyloxy-5-[(2s,3s)-3-[(2r,3s)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]oxiran-2-yl]pent-4-en-2-yl] acetate
  • [(e,2s,3r)-3-acetyloxy-5-[(2s,3s)-3-[(2r,3s)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]oxiran-2-yl]pent-4-en-2-yl] ethanoate
  • acetic acid [(e,1s,2r)-2-acetoxy-4-[(2s,3s)-3-[(2r,3s)-3-acetoxy-6-keto-2,3-dihydropyran-2-yl]oxiran-2-yl]-1-methyl-but-3-enyl] ester
  • acetic acid [(e,1s,2r)-2-acetoxy-4-[(2s,3s)-3-[(2r,3s)-3-acetoxy-6-oxo-2,3-dihydropyran-2-yl]-2-oxiranyl]-1-methylbut-3-enyl] ester
CAS Number(s)
  • 137893-86-8
InChIKey WSMOXQBLJXEQNX-GMHYHFCSSA-N
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