(1S,2R,3S,4R)-2,3-Dihydroxy-4-[7-{[(1R,2S)-2-Phenylcyclopropyl]Amino}-5-(Propylsulfanyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl]Cyclopentanecarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C22H27N7O3S |
| IUPAC Name | (1s,2r,3s,4r)-2,3-dihydroxy-4-[7-[[(1r,2s)-2-phenylcyclopropyl]amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]cyclopentanecarboxamide |
| Molecular Mass | 469.560 g·mol−1 |
| Heat of Formation | -55.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.22 ± 1.08 D |
| Volume | 547.72 Å 3 |
| Surface Area | 460.14 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | 2.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FCAKQNAVWYYTER-SSDGSGIASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |