4-[[9-[(3S)-Tetrahydrofuran-3-Yl]-8-(2,4,6-Trifluoroanilino)Purine-1,3,7-Triium-2-Yl]Amino]Cyclohexanol
Properties
| Property | Value |
|---|---|
| Formula | C21H23F3N6O2 |
| IUPAC Name | 4-[[9-[(3s)-tetrahydrofuran-3-yl]-8-(2,4,6-trifluoroanilino)purine-1,3,7-triium-2-yl]amino]cyclohexanol |
| Molecular Mass | 448.442 g·mol−1 |
| Heat of Formation | -570.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.56 ± 1.08 D |
| Volume | 498.4 Å 3 |
| Surface Area | 409.74 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | 2.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RBPMZNXMLTXYQH-MELADBBJSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |