(5α,6Beta)-17-Allyl-4,5-Epoxymorphinan-3,6-Diol

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Formula C19H23NO3
IUPAC Name (3r,4r,4ar,7r,7ar,12bs)-3-allyl-2,4,4a,5,6,7,7a,13-octahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular Mass 313.391 g·mol−1
Heat of Formation -353.7 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 374.25 Å 3
Surface Area 310.04 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,6beta)-4,5-epoxy-17-(2-propenyl)morphinan-3,6,14-triol
  • 6beta-hydroxynaloxone
  • 6beta-naloxol
CAS Number(s)
  • 53154-12-4
InChIKey ANEQRJBDUHMEEB-MKUCUKIISA-N
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