[(2R,5R)-5-[2-Amino-8-[(R)-[(Z)-2-(4-Azidophenyl)Vinyl]Sulfinyl]-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl]-3-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C18H20N8O8PS+ |
| IUPAC Name | [(2r,5r)-5-[2-amino-8-[(r)-[(z)-2-(4-azidophenyl)vinyl]sulfinyl]-6-oxo-3h-purine-1,7-diium-4-id-9-yl]-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 539.439 g·mol−1 |
| Heat of Formation | -832.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.01 ± 1.08 D |
| Volume | 549.86 Å 3 |
| Surface Area | 401.51 Å 2 |
| HOMO Energy | -8.84 ± 0.55 eV |
| LUMO Energy | -0.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | POCAPVZFRJZQKJ-CXMSHFHTSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |