(2R,3S,5S)-5-[6-Amino-8-[4-(4-Aminophenyl)Phenyl]Purine-1,3,7-Triium-9-Yl]-2-(Hydroxymethyl)Tetrahydrofuran-3-Ol
Properties
| Property | Value |
|---|---|
| Formula | C22H22N6O3 |
| IUPAC Name | (2r,3s,5s)-5-[6-amino-8-[4-(4-aminophenyl)phenyl]purine-1,3,7-triium-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol |
| Molecular Mass | 418.449 g·mol−1 |
| Heat of Formation | -139.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.44 ± 1.08 D |
| Volume | 478.56 Å 3 |
| Surface Area | 415.53 Å 2 |
| HOMO Energy | -8.55 ± 0.55 eV |
| LUMO Energy | -0.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LIEBBJHZGKEPAG-KSZLIROESA-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 |