(5α,6Beta)-3-Hydroxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-6-Yl Acetate

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Properties Simple | Detailed

Formula C19H21NO4
IUPAC Name [(4r,4ar,7r,7ar,12bs)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Molecular Mass 327.374 g·mol−1
Heat of Formation -527.2 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 375.22 Å 3
Surface Area 312.37 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-isomorphine, acetyl-
  • alpha-isomorphine, monoacetyl-
  • monoacetyl-alpha-isomorphine
  • morphinan-3,6-beta-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, acetate
CAS Number(s)
  • 63690-06-2
InChIKey JJGYGPZNTOPXGV-MKUCUKIISA-N
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