(1R,3S,5R,6S)-6-Hydroxy-8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl (2S)-3-Hydroxy-2-Phenylpropanoate

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Properties Simple | Detailed

Formula C17H23NO4
IUPAC Name [(1r,3s,5r,6s,8s)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenyl-propanoate
Molecular Mass 305.369 g·mol−1
Heat of Formation -697.5 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 370.87 Å 3
Surface Area 296.44 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-hydroxy-2-phenyl-propionic acid [(1r,3s,5r,7s)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • (2s)-3-hydroxy-2-phenylpropanoic acid [(1r,3s,5r,7s)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • [(1r,3s,5r,7s)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenyl-propanoate
  • bb_nc-1319
InChIKey WTQYWNWRJNXDEG-RBZJEDDUSA-N
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