Adenosine, 5'-O-[Hydroxy[[Hydroxy[(3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-[[2-[[(2E)-1-Oxo-2-Hexen-1-Yl]Thio]Ethyl]Amino]Propyl]Amino]Butoxy]Phosphinyl]Oxy]Phosphinyl]-, 3'-(Dihydrogen Phosphate), Ion(4-)
Properties
| Property | Value |
|---|---|
| Formula | C27H40N7O17P3S---- |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(3r)-4-[[3-[2-[(e)-hex-2-enoyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] phosphate |
| Molecular Mass | 859.629 g·mol−1 |
| Heat of Formation | -839.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 17.94 ± 1.08 D |
| Volume | 779.34 Å 3 |
| Surface Area | 518.91 Å 2 |
| HOMO Energy | -7.75 ± 0.55 eV |
| LUMO Energy | -2.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OINXHIBNZUUIMR-IXUYQXAASA-J |
| 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 |