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} (2E)-3-(Methylsulfanyl)-2-Propenethioate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C25H40N7O17P3S2 |
| IUPAC Name | s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (e)-3-methylsulfanylprop-2-enethioate |
| Molecular Mass | 867.673 g·mol−1 |
| Heat of Formation | -3717.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.51 ± 1.08 D |
| Volume | 919.25 Å 3 |
| Surface Area | 762.61 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | -1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZGBNNHAIMKRDOC-CABWFRLRSA-N |
| 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 |