5-Bromo-7-(5-Deoxy-5-{[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 | C25H34BrN7O4 |
IUPAC Name | 1-[3-[[(2r,3s,4r,5r)-5-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylamino]propyl]-3-(4-tert-butylphenyl)urea |
Molecular Mass | 576.486 g·mol−1 |
Heat of Formation | -533.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.93 ± 1.08 D |
Volume | 622.11 Å 3 |
Surface Area | 427.18 Å 2 |
HOMO Energy | -8.23 ± 0.55 eV |
LUMO Energy | 2.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | RFVBTQBCRYTKHX-ZDXOVATRSA-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 |