(5α,6Beta)-6-(Acetylthio)-17-(Cyclopropylmethyl)-7,8-Didehydro-4,5-Epoxymorphinan-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C22H25NO3S
IUPAC Name s-[(3r,4r,4ar,7r,7ar,12bs)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethanethioate
Molecular Mass 383.504 g·mol−1
Heat of Formation -246.1 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 447.34 Å 3
Surface Area 366.88 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • kt 89
  • kt-89
CAS Number(s)
  • 129224-33-5
InChIKey AENIFEKJJPCKIV-OPRKNOPESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N