2-Amino-5-(5-Amino-1-Pentyn-1-Yl)-7-{2-Deoxy-5-O-[(S)-Hydroxy{[(S)-Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl]-β-D-Erythro-Pentofuranosyl}-3,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One
Properties
| Property | Value |
|---|---|
| Formula | C16H24N5O13P3 |
| IUPAC Name | [[(2r,3s,5r)-5-[2-amino-5-(5-aminopent-1-ynyl)-4-oxo-3,6-dihydropyrrolo[2,3-d]pyrimidine-1,2,4a,5,6,7a-hexaid-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 587.309 g·mol−1 |
| Heat of Formation | -347.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.17 ± 1.08 D |
| Volume | 496.34 Å 3 |
| Surface Area | 377.58 Å 2 |
| HOMO Energy | -8.92 ± 0.55 eV |
| LUMO Energy | -3.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XIWGGMXHUSVMFH-QJPTWQEYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |