(5α)-17-(Cyclopropylmethyl)-3,14-Dihydroxy-4,5-Epoxymorphinan-6,10-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C20H21NO5
IUPAC Name (3r,4s,4as,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-dione
Molecular Mass 355.384 g·mol−1
Heat of Formation -553.9 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 398.75 Å 3
Surface Area 320.23 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 10-ketonaltrexone
  • morphinan-6,10-dione, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dih ydroxy-, (5alpha)-
CAS Number(s)
  • 96445-14-6
InChIKey MLHMRULRADVYER-FUMNGEBKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N