S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3Lambda~5~,5Lambda~5~-Diphosphaheptadecan-17-Yl} 3-(Methylsulfanyl)Propanethioate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C25H42N7O17P3S2 |
| IUPAC Name | s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-methylsulfanylpropanethioate |
| Molecular Mass | 869.689 g·mol−1 |
| Heat of Formation | -778.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.55 ± 1.08 D |
| Volume | 757.05 Å 3 |
| Surface Area | 557.5 Å 2 |
| HOMO Energy | -7.94 ± 0.55 eV |
| LUMO Energy | -3.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SIEFLYWJLBNLAM-CITAKDKDSA-N |
| 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 |