(5α,6Beta)-17-(Cyclopropylmethyl)-3-Methoxy-4,5-Epoxymorphinan-2,6,14-Triol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H27NO5
IUPAC Name (3r,4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-9-methoxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,10-triol
Molecular Mass 373.443 g·mol−1
Heat of Formation -701.0 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 432.93 Å 3
Surface Area 348.09 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-3-methoxy-6beta-naltrexol
  • morphinan-2,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy-3-methoxy-, (5alpha,6beta)-
CAS Number(s)
  • 57355-35-8
InChIKey GWCHXDJGNDNHIQ-RERAUARKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N