2-[(Dichloroacetyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propyl N-[3-(Dimethylamino)Propyl]-N-(Ethylcarbamoyl)-P-{4-[(Trifluoroacetyl)Amino]Benzyl}Phosphonamidate
Properties
| Property | Value |
|---|---|
| Formula | C28H36Cl2F3N6O8P |
| IUPAC Name | n-[4-[[[(1s,2r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-[3-(dimethylamino)propyl-(ethylcarbamoyl)amino]phosphoryl]methyl]phenyl]-2,2,2-trifluoro-acetamide |
| Molecular Mass | 743.496 g·mol−1 |
| Heat of Formation | -1894.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.27 ± 1.08 D |
| Volume | 810.79 Å 3 |
| Surface Area | 601.84 Å 2 |
| HOMO Energy | -9.13 ± 0.55 eV |
| LUMO Energy | -1.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SITLNJAUKLVJOA-CTQJRONWSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H Cl O N P |