[[(2R,3S,5R)-5-(4-Amino-5-Cyano-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 | C12H16N5O12P3 |
| IUPAC Name | [[(2r,3s,5r)-5-(4-amino-5-cyano-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 | 515.203 g·mol−1 |
| Heat of Formation | -2794.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.99 ± 1.08 D |
| Volume | 495.87 Å 3 |
| Surface Area | 394.7 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | -1.57 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CHUQLGCAILHCOQ-DJLDLDEBSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |