Methyl (1R,2S,3S,5S)-3-(Benzoyloxy)-8-Oxabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C16H18O5
IUPAC Name methyl (1s,3s,4s,5r)-3-benzoyloxy-8-oxabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 290.311 g·mol−1
Heat of Formation -817.8 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 337.4 Å 3
Surface Area 298.23 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5s)-3-(benzoyloxy)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (1r,2s,3s,5s)-3-(oxo-phenylmethoxy)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • methyl (1r,2s,3s,5s)-3-phenylcarbonyloxy-8-oxabicyclo[3.2.1]octane-2-carboxylate
InChIKey LZEYBRZITXZYGQ-CRWXNKLISA-N
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