3-Monoacetylmorphine

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Properties Simple | Detailed

Formula C19H21NO4
IUPAC Name [(3s,4r,4ar,7s,7ar,12bs)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] acetate
Molecular Mass 327.374 g·mol−1
Heat of Formation -496.4 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 376.86 Å 3
Surface Area 302.36 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 3-acetylmorphine
  • monoacetylmorphine
  • morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, acetate
  • morphine, acetyl-
  • morphine, monoacetyl-
  • o(3)-monoacetylmorphine
CAS Number(s)
  • 29593-26-8
  • 5140-28-3
InChIKey GMLREHXYJDLZOU-LEPYJNQMSA-N
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