S-{(9R)-1-[(2R,3R,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-Hydroxy-4-(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} (2E)-2-Butenethioate
Properties
| Property | Value |
|---|---|
| Formula | C25H40N7O17P3S |
| IUPAC Name | s-[2-[3-[[(2r)-4-[[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (e)-but-2-enethioate |
| Molecular Mass | 835.608 g·mol−1 |
| Heat of Formation | -12.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.49 ± 1.08 D |
| Volume | 702.14 Å 3 |
| Surface Area | 595.14 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | -2.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BOZMQGABFDQJEL-SNAWJCMRSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C S O N |