(5α,6α)-17-Methyl-3-[(2-Methyl-2-Propanyl)Oxy]-7,8-Didehydro-4,5-Epoxymorphinan-6-Ol
Properties
Property | Value |
---|---|
Formula | C21H27NO3 |
IUPAC Name | (4r,4ar,7s,7ar,12bs)-9-tert-butoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol |
Molecular Mass | 341.444 g·mol−1 |
Heat of Formation | -413.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.11 ± 1.08 D |
Volume | 416.62 Å 3 |
Surface Area | 328.46 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | 3.23 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
CAS Number(s) |
|
InChIKey | KGAFKGNBYPHAJK-JIDSPLGISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |