[[(2R,3S,4R,5R)-5-[6-[(4-Fluorobenzoyl)Amino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H19FN5O14P3 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-[6-[(4-fluorobenzoyl)amino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 629.278 g·mol−1 |
| Heat of Formation | -3253.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.65 ± 1.08 D |
| Volume | 604.56 Å 3 |
| Surface Area | 479.48 Å 2 |
| HOMO Energy | -9.51 ± 0.55 eV |
| LUMO Energy | -1.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QYHBXBQPFMYVIH-CNEMSGBDSA-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 |