5-Bromo-7-(5-Deoxy-5-{Isopropyl[3-({[4-(2-Methyl-2-Propanyl)Phenyl]Carbamoyl}Amino)Propyl]Amino}-β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine
Properties
| Property | Value |
|---|---|
| Formula | C28H40BrN7O4 |
| IUPAC Name | 1-[3-[[(2r,3s,4r,5r)-5-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-isopropyl-amino]propyl]-3-(4-tert-butylphenyl)urea |
| Molecular Mass | 618.566 g·mol−1 |
| Heat of Formation | -583.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.36 ± 1.08 D |
| Volume | 699.34 Å 3 |
| Surface Area | 515.89 Å 2 |
| HOMO Energy | -8.52 ± 0.55 eV |
| LUMO Energy | -0.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IQCKJUKAQJINMK-HUBRGWSESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br N |