[[(1S,2R,3S,5S)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-2-Bicyclo[3.1.0]Hexanyl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C12H18N5O11P3 |
| IUPAC Name | [[(1s,2r,3s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-2-bicyclo[3.1.0]hexanyl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 501.219 g·mol−1 |
| Heat of Formation | -2594.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.31 ± 1.08 D |
| Volume | 486.52 Å 3 |
| Surface Area | 400.82 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | -1.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MPTAICNCCQGUBX-QZOVBDONSA-O |
| 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 |