4-{[(5α,6α)-3-Hydroxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-6-Yl]Oxy}-4-Oxobutanoic Acid
Properties
Property | Value |
---|---|
Formula | C21H23NO6 |
IUPAC Name | 4-[[(3s,4r,4ar,7s,7ar,12bs)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-4-oxo-butanoic acid |
Molecular Mass | 385.410 g·mol−1 |
Heat of Formation | -899.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.84 ± 1.08 D |
Volume | 436.41 Å 3 |
Surface Area | 363.93 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | 0.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | RVCMQOUQLRUENR-XSFUTMHBSA-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 |