4-[[(2R,3S,4R,5R)-5-[6-Amino-8-(Quinolin-1-Ium-4A-Id-6-Ylmethylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxymethyl]Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C28H28N8O4 |
| IUPAC Name | 4-[[(2r,3s,4r,5r)-5-[6-amino-8-(quinolin-1-ium-4a-id-6-ylmethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl]benzonitrile |
| Molecular Mass | 540.573 g·mol−1 |
| Heat of Formation | 9.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.68 ± 1.08 D |
| Volume | 614.37 Å 3 |
| Surface Area | 523.41 Å 2 |
| HOMO Energy | -8.55 ± 0.55 eV |
| LUMO Energy | -1.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UDYKJQBYQICQAT-VBHAUSMQSA-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 |