[[[[(2R,3S,4R,5R)-5-(6-Amino-2-Propylsulfanyl-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]-Difluoro-Methyl]Phosphonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H22F2N5O12P3S |
| IUPAC Name | [[[[(2r,3s,4r,5r)-5-(6-amino-2-propylsulfanyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid |
| Molecular Mass | 615.334 g·mol−1 |
| Heat of Formation | -3247.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.04 ± 1.08 D |
| Volume | 606.85 Å 3 |
| Surface Area | 421.97 Å 2 |
| HOMO Energy | -8.36 ± 0.55 eV |
| LUMO Energy | 1.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MGIUKCLAWHLNOD-WOUKDFQISA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N P S |