5-(4-Fluorophenyl)-2,3-Dihydroxy-N-[(E)-3-[(2S,4R,5R)-4-Hydroxy-5-(6-Methylpurine-1,3,7-Triium-9-Yl)Tetrahydrofuran-2-Yl]Allyl]Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C26H24FN5O5 |
| IUPAC Name | 5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-3-[(2s,4r,5r)-4-hydroxy-5-(6-methylpurine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]allyl]benzamide |
| Molecular Mass | 505.498 g·mol−1 |
| Heat of Formation | -670.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.16 ± 1.08 D |
| Volume | 560.14 Å 3 |
| Surface Area | 438.02 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | 1.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BYQLXYRVNQIILH-DEAZYUCPSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |