1-[3-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Isopropyl-Amino]Propyl]-3-(4-Tert-Butylphenyl)Urea
Properties
| Property | Value |
|---|---|
| Formula | C27H42N8O4 |
| IUPAC Name | 1-[3-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-isopropyl-amino]propyl]-3-(4-tert-butylphenyl)urea |
| Molecular Mass | 542.674 g·mol−1 |
| Heat of Formation | -523.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.08 ± 1.08 D |
| Volume | 661.89 Å 3 |
| Surface Area | 551.04 Å 2 |
| HOMO Energy | -8.55 ± 0.55 eV |
| LUMO Energy | -0.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AQIUYINKDJYQCG-PTGPVQHPSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |