[[(2R,3S,5R)-5-[2-Amino-6-(Aziridin-1-Yl)Purine-1,3,7-Triium-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C12H19N6O12P3 |
| IUPAC Name | [[(2r,3s,5r)-5-[2-amino-6-(aziridin-1-yl)purine-1,3,7-triium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 532.234 g·mol−1 |
| Heat of Formation | -2758.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.67 ± 1.08 D |
| Volume | 510.79 Å 3 |
| Surface Area | 382.2 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -1.52 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UEEMISRROOTIDF-XLPZGREQSA-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 |