[[(2R,3S,5R)-5-[4-Amino-5-(5-Aminopent-1-Ynyl)Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H26N5O12P3 |
| IUPAC Name | [[(2r,3s,5r)-5-[4-amino-5-(5-aminopent-1-ynyl)pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 573.325 g·mol−1 |
| Heat of Formation | -2749.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.96 ± 1.08 D |
| Volume | 575.66 Å 3 |
| Surface Area | 491.64 Å 2 |
| HOMO Energy | -8.47 ± 0.55 eV |
| LUMO Energy | -1.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ILSVRJBCLQAKLF-YNEHKIRRSA-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 |