5-(5-Amino-1-Pentyn-1-Yl)-7-{2-Deoxy-5-O-[(S)-Hydroxy{[(S)-Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl]-β-D-Erythro-Pentofuranosyl}-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine
Properties
| Property | Value |
|---|---|
| Formula | C16H24N5O12P3 |
| IUPAC Name | [[(2r,3s,5r)-5-[4-amino-5-(5-aminopent-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 571.309 g·mol−1 |
| Heat of Formation | -2742.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.30 ± 1.08 D |
| Volume | 574.49 Å 3 |
| Surface Area | 496.66 Å 2 |
| HOMO Energy | -8.56 ± 0.55 eV |
| LUMO Energy | -1.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MCSGHAFVOBYWGE-YNEHKIRRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |