1-[3-[[(2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Isopropyl-Amino]Propyl]-3-(4-Tert-Butylphenyl)Urea
Properties
| Property | Value |
|---|---|
| Formula | C28H41N7O4 |
| IUPAC Name | 1-[3-[[(2r,3s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-isopropyl-amino]propyl]-3-(4-tert-butylphenyl)urea |
| Molecular Mass | 539.670 g·mol−1 |
| Heat of Formation | -566.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.01 ± 1.08 D |
| Volume | 665.98 Å 3 |
| Surface Area | 557.94 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | 2.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NXBDUKRVLSUKSF-ICLZECGLSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |