N-[(2E)-3-{(2R,3S,4R,5R)-3,4-Dihydroxy-5-[6-(Propylamino)-9H-Purin-9-Yl]Tetrahydro-2-Furanyl}-2-Propen-1-Yl]-4'-Fluoro-4,5-Dihydroxy-3-Biphenylcarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C28H29FN6O6 |
| IUPAC Name | n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(propylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide |
| Molecular Mass | 564.565 g·mol−1 |
| Heat of Formation | -815.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.41 ± 1.08 D |
| Volume | 646.84 Å 3 |
| Surface Area | 502.27 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZTSZMLSDNBUFMA-WIRSHZJASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |