Methyl (1S,2S,3S,5R,7R)-3-(Benzoyloxy)-7-Methoxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C18H23NO5
IUPAC Name methyl (1r,3s,4s,5s,6r,8s)-3-benzoyloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 333.379 g·mol−1
Heat of Formation -785.3 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 396.21 Å 3
Surface Area 329.34 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3s,5r,7r)-3-(benzoyloxy)-7-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (1s,2s,3s,5r,7r)-7-methoxy-8-methyl-3-(oxo-phenylmethoxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • methyl (1s,2s,3s,5r,7r)-7-methoxy-8-methyl-3-phenylcarbonyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate
InChIKey VHNFNHMRSQZOLD-YIDVYQOGSA-N
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