Methyl (2E)-4-{[(5β,18R)-17-(Cyclopropylmethyl)-3-Hydroxy-6-Methoxy-7,8,9,17-Tetradehydro-18,19-Dihydro-4,5-Epoxy-6,14-Ethenomorphinan-17-Ium-18-Yl]Amino}-4-Oxo-2-Butenoate
Properties
| Property | Value |
|---|---|
| Formula | C28H31N2O6+ |
| IUPAC Name | methyl (2e)-4-{[(5beta,18r)-17-(cyclopropylmethyl)-3-hydroxy-6-methoxy-7,8,9,17-tetradehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-17-ium-18-yl]amino}-4-oxo-2-butenoate |
| Molecular Mass | 491.556 g·mol−1 |
| Heat of Formation | 2444.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.58 ± 1.08 D |
| Volume | 472.61 Å 3 |
| Surface Area | 351.34 Å 2 |
| HOMO Energy | -8.56 ± 0.55 eV |
| LUMO Energy | -3.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VBZMGUNMAFXERB-SCDNKVDVSA-O |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |