[(2R,3S,4R,5R)-5-(6-Amino-8-Bromo-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl [(2R,3S,4S)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C15H22BrN5O13P2 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 622.212 g·mol−1 |
| Heat of Formation | -2647.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.35 ± 1.08 D |
| Volume | 575.17 Å 3 |
| Surface Area | 467.92 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | -1.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DTBPYRLOWSYQCZ-ZVIMGNLFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P Br |