5'-O-{[({[(2-{3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl}Ethoxy)Phosphinato]Oxy}Phosphinato)Oxy]Phosphinato}Adenosine
Properties
| Property | Value |
|---|---|
| Formula | C22H28N9O13P3S-- |
| IUPAC Name | [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-oxido-phosphoryl] [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate |
| Molecular Mass | 751.497 g·mol−1 |
| Heat of Formation | -131.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.45 ± 1.08 D |
| Volume | 688.91 Å 3 |
| Surface Area | 567.44 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -3.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FGOYXNBJKMNPDH-NMZZKHSVSA-L |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P S C O N |