7-{2-Deoxy-5-O-[(S)-Hydroxy{[(S)-Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl]-β-D-Erythro-Pentofuranosyl}-5-{5-[(10-Hydroxydecanoyl)Amino]-1-Pentyn-1-Yl}-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine
Properties
| Property | Value |
|---|---|
| Formula | C26H42N5O14P3 |
| IUPAC Name | [[(2r,3s,5r)-5-[4-amino-5-[5-(10-hydroxydecanoylamino)pent-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 741.558 g·mol−1 |
| Heat of Formation | -3282.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.91 ± 1.08 D |
| Volume | 816.7 Å 3 |
| Surface Area | 718.59 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | -1.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JQTQPUSSMXPQMW-QZNHQXDQSA-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 |