(5α,6α)-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,7s,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 -512.7 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 378.77 Å 3
Surface Area 312.1 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 6-acetylmorphine
  • 6-mam
  • 6-o-acetylmorphine
  • 6-o-monoacetylmorphine
  • 7,8-didehydro-4,5alpha-epoxy-17-methylmorphinan-3,6alpha-diol 6-acetate
  • morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, 6-acetate
  • morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, 6-acetate
  • morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, 6-acetate, (5alpha,6alpha)-
  • morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-, 6-acetate (8ci)
  • morphine 6-acetate
  • morphine 6-acetate (6ci,7ci)
  • o(sup 6)-monoacetylmorphine
  • o6-acetylmorphine
  • o6-monoacetylmorphine
  • ymorphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, 6-acetate (9ci)
CAS Number(s)
  • 2784-73-8
InChIKey JJGYGPZNTOPXGV-SSTWWWIQSA-N
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