(2R,3S,5R)-5-[6-Amino-8-(Pyren-2-Ylamino)Purine-1,3,7-Triium-9-Yl]-2-(Hydroxymethyl)Tetrahydrofuran-3-Ol
Properties
| Property | Value |
|---|---|
| Formula | C26H22N6O3 |
| IUPAC Name | (2r,3s,5r)-5-[6-amino-8-(pyren-2-ylamino)purine-1,3,7-triium-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol |
| Molecular Mass | 466.491 g·mol−1 |
| Heat of Formation | -27.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.82 ± 1.08 D |
| Volume | 515.33 Å 3 |
| Surface Area | 432.76 Å 2 |
| HOMO Energy | -8.33 ± 0.55 eV |
| LUMO Energy | -1.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DBTLZZVGVBIAAA-XUVXKRRUSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |