(5α,6Beta,14Beta,18R)-18-[(2S)-2-Hydroxy-2-Pentanyl]-6-Methoxy-17-Methyl-7,8-Didehydro-18,19-Dihydro-4,5-Epoxy-6,14-Ethenomorphinan-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C25H33NO4
IUPAC Name (5alpha,6beta,14beta,18r)-18-[(2s)-2-hydroxy-2-pentanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
Molecular Mass 411.534 g·mol−1
Heat of Formation -579.4 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 495.85 Å 3
Surface Area 377.61 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 14521-96-1
InChIKey CAHCBJPUTCKATP-NNFUYEGGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N