N-{2-[(2-{[(E)-{2-Methyl-3-Oxo-5-[(Phosphonooxy)Methyl]-4(3H)-Pyridinylidene}Methyl]Amino}Ethyl)Sulfanyl]Ethyl}Adenosine
Properties
| Property | Value |
|---|---|
| Formula | C22H30N7O9PS |
| IUPAC Name | (e)-2-[2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]ethylsulfanyl]ethyl-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-1-ium-4-yl]methylene]ammonium |
| Molecular Mass | 599.554 g·mol−1 |
| Heat of Formation | -1589.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.37 ± 1.08 D |
| Volume | 641.04 Å 3 |
| Surface Area | 446.42 Å 2 |
| HOMO Energy | -8.00 ± 0.55 eV |
| LUMO Energy | -0.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VSLXACWCGOFRBU-JUIVKVHMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |