[(2S,3R,4R,5R)-5-[6-[2-[(4-Azido-3,5,6-Trifluoro-Pyridin-1-Ium-3-Id-2-Yl)Amino]Ethylamino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H19F3N10O7P |
| IUPAC Name | [(2s,3r,4r,5r)-5-[6-[2-[(4-azido-3,5,6-trifluoro-pyridin-1-ium-3-id-2-yl)amino]ethylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 563.365 g·mol−1 |
| Heat of Formation | -1434.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.67 ± 1.08 D |
| Volume | 557.3 Å 3 |
| Surface Area | 469.2 Å 2 |
| HOMO Energy | -9.14 ± 0.55 eV |
| LUMO Energy | 1.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YLJXCVUUEUIBOR-XFDMUNLNSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N P |