(1S,5S,13S,14R,15R,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-Diol

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Formula C17H19NO4
IUPAC Name (1s,5s,13s,14r,15r,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-diol
Molecular Mass 301.337 g·mol−1
Heat of Formation -246.8 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 337.19 Å 3
Surface Area 278.6 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • morphinan-3,6-diol, 4,5-7,8-diepoxy-17-methyl-, (5alpha,6alpha,7beta,8beta)-
  • morphine-7,8-oxide
CAS Number(s)
  • 77632-94-1
InChIKey DEEPRWXYIHNJOV-SDWILRLASA-N
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