(1S,5S,13S,14R,15S,17S,18R)-4-Methyl-12,16-Dioxa-4-Azahexacyclo[9.7.1.0~1,13~.0~5,18~.0~7,19~.0~15,17~]Nonadeca-7(19),8,10-Triene-10,14-Diyl Diacetate

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Formula C21H23NO6
IUPAC Name (1s,5s,13s,14r,15s,17s,18r)-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.0 1,13 .0 5,18 .0 7,19 .0 15,17 ]nonadeca-7(19),8,10-triene-10,14-diyl diacetate
Molecular Mass 385.410 g·mol−1
Heat of Formation -620.7 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 438.04 Å 3
Surface Area 356.24 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • diacetylmorphine 7,8-oxide
  • heroin 7,8-oxide
  • heroin-7,8-oxide
  • morphinan-3,6-diol, 4,5:7,8-diepoxy-17-methyl-, diacetate (ester), (5alpha,6alpha,7beta,8beta)-
CAS Number(s)
  • 77632-95-2
InChIKey HTVVLJOUXOBFGI-DRWAVJFYSA-N
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