[(1R,4S,6S)-4-(6-Amino-8H-Purin-9-Ium-8-Ylium-9-Yl)-6-Hydroxy-Cyclohex-2-En-1-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C12H16N5O5P |
| IUPAC Name | [(1r,4s,6s)-4-(6-aminopurin-9-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate |
| Molecular Mass | 341.260 g·mol−1 |
| Heat of Formation | -911.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 0.80 ± 1.08 D |
| Volume | 364.87 Å 3 |
| Surface Area | 316.94 Å 2 |
| HOMO Energy | -8.93 ± 0.55 eV |
| LUMO Energy | -0.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CZNHTUYPRVHNIW-HLTSFMKQSA-N |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |