(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)Cyclopropyl]Amino]-5-Propylsulfanyl-Triazolo[4,5-D]Pyrimidin-3-Ium-6-Id-3-Yl]-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol
Properties
| Property | Value |
|---|---|
| Formula | C23H30F2N6O4S |
| IUPAC Name | (1s,2s,3r,5s)-3-[7-[[(1r,2s)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-ium-6-id-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol |
| Molecular Mass | 524.584 g·mol−1 |
| Heat of Formation | -615.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.66 ± 1.08 D |
| Volume | 593.11 Å 3 |
| Surface Area | 466.88 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -1.25 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FLYURAVZECGYMJ-FNOIDJSQSA-O |
| QR Code | Generate QR Code |
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| Elements | C F H O N S |