5'-O-[({[Dichloro(Phosphono)Methyl](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]-2-[(2,2,3,3,3-~3~H_5_)Propylsulfanyl]Adenosine
Properties
| Property | Value |
|---|---|
| Formula | C14H17Cl2N5O12P3ST5 |
| 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]-dichloro-methyl]phosphonic acid |
| Molecular Mass | 658.284 g·mol−1 |
| Heat of Formation | -2747.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.47 ± 1.08 D |
| Volume | 619.74 Å 3 |
| Surface Area | 493.02 Å 2 |
| HOMO Energy | -8.61 ± 0.55 eV |
| LUMO Energy | -1.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZLIAJZQKKBOFJR-WNJXVAICSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N P S |