[(1S,3S,5R,6R,8R)-6-(6-Aminopurin-9-Yl)-4'-Fluoro-Spiro[2,4,7-Trioxa-3-Boranuidabicyclo[3.3.0]Octane-3,9'-8-Oxa-9-Boranuidabicyclo[4.3.0]Nona-1(6),2,4-Triene]-8-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H17BFN5O8P- |
| IUPAC Name | [(e,1e)-1-[(6-aminopurine-1,3,7-triium-9-yl)-hydroxy-methylene]-4-phosphonooxy-but-2-enoxy]-[4-fluoro-2-(hydroxymethyl)phenyl]borinic acid |
| Molecular Mass | 480.129 g·mol−1 |
| Heat of Formation | 305.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 15.07 ± 1.08 D |
| Volume | 435.33 Å 3 |
| Surface Area | 385.14 Å 2 |
| HOMO Energy | -8.19 ± 0.55 eV |
| LUMO Energy | -3.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZLSXXTYLUMEAGG-LBTDBDNISA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C B F O N P |