2-({(E)-[(3E,11β)-11,21-Dihydroxy-18,20-Dioxopregn-4-En-3-Ylidene]Amino}Oxy)-N-{2-[4-(~125~I)Iodo-1H-Imidazol-5-Yl]Ethyl}Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C28H37IN4O6 |
| IUPAC Name | 2-[(e)-[(8s,9s,10r,11s,13r,14s,17s)-13-formyl-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-n-[2-(4-(125i)iodanyl-1h-imidazol-5-yl)ethyl]acetamide |
| Molecular Mass | 650.521 g·mol−1 |
| Heat of Formation | -720.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.81 ± 1.08 D |
| Volume | 669.25 Å 3 |
| Surface Area | 540.82 Å 2 |
| HOMO Energy | -8.49 ± 0.55 eV |
| LUMO Energy | 3.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JALDDFVSKIVSGM-HVLOGIEYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | I H C O N |