(5α,14α)-17-(Cyclopropylmethyl)-6-(~123~I)Iodo-4,5-Epoxymorphinan-3,14-Diol
Properties
Property | Value |
---|---|
Formula | C20H24INO3 |
IUPAC Name | (3r,4r,4ar,7r,7ar,12bs)-3-(cyclopropylmethyl)-7-iodo-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol |
Molecular Mass | 453.314 g·mol−1 |
Heat of Formation | -252.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.27 ± 1.08 D |
Volume | 433.03 Å 3 |
Surface Area | 346.61 Å 2 |
HOMO Energy | -8.35 ± 0.55 eV |
LUMO Energy | 0.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | XEXVJJBUTPOPFH-BAPHQFHRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | I H C O N |