(5β,6β)-6-Azido-17-(Cyclopropylmethyl)-4,5-Epoxymorphinan-3-Ol

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Formula C20H24N4O2
IUPAC Name (3r,4r,4ar,7r,7as,12bs)-7-azido-3-(cyclopropylmethyl)-2,4,4a,5,6,7,7a,13-octahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
Molecular Mass 352.430 g·mol−1
Heat of Formation 297.2 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 416.66 Å 3
Surface Area 336.57 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • morphinan-3-ol, 6-azido-17-(cyclopropylmethyl)-4,5-epoxy-, (5alpha,6beta)-
CAS Number(s)
  • 56337-94-1
InChIKey ACIDOKFIOLLVDB-MBNVHVTPSA-N
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