Adenosine, 5'-O-[Hydroxy[[Hydroxy[(3R)-3-Hydroxy-4-[[3-[[2-[[(3S)-3-Hydroxy-1-Oxohexyl]Thio]Ethyl]Amino]-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutoxy]Phosphinyl]Oxy]Phosphinyl]-, 3'-(Dihydrogen Phosphate), Ion(4-)
Properties
| Property | Value |
|---|---|
| Formula | C27H42N7O18P3S---- |
| 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)-3-hydroxy-4-[[3-[2-[(3s)-3-hydroxyhexanoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] phosphate |
| Molecular Mass | 877.645 g·mol−1 |
| Heat of Formation | -41.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.07 ± 1.08 D |
| Volume | 925.78 Å 3 |
| Surface Area | 691.81 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | -2.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VAAHKRMGOFIORX-IKTBLOROSA-J |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C S O N |