[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(4-Nitrophenyl)Methylsulfanyl]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H18N5O9PS |
| IUPAC Name | [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 499.392 g·mol−1 |
| Heat of Formation | -1208.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.21 ± 1.08 D |
| Volume | 511.45 Å 3 |
| Surface Area | 448.25 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | 1.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CJHZBZNZJYQYLY-LSCFUAHRSA-O |
| 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 |