N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(Ethylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Allyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C27H27FN6O6 |
| IUPAC Name | n-[(e)-3-[(2r,3s,4r,5r)-5-[6-(ethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide |
| Molecular Mass | 550.538 g·mol−1 |
| Heat of Formation | -844.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.98 ± 1.08 D |
| Volume | 617.99 Å 3 |
| Surface Area | 473.46 Å 2 |
| HOMO Energy | -8.93 ± 0.55 eV |
| LUMO Energy | -0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IHKWLSFNMSPQJA-CJLJSIFTSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |