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-[(3As,4S,7As)-7A-Methyl-1,5-Dioxooctahydro-1H-Inden-4-Yl]Propanethioate
Properties
| Property | Value |
|---|---|
| Formula | C34H52N7O19P3S |
| IUPAC Name | s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-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] 3-[(4s,7as)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate |
| Molecular Mass | 987.798 g·mol−1 |
| Heat of Formation | 720.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 23.27 ± 1.08 D |
| Volume | 935.2 Å 3 |
| Surface Area | 752.26 Å 2 |
| HOMO Energy | -8.31 ± 0.55 eV |
| LUMO Energy | -3.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IWNWMTZIJPUDPV-MDQHZGBLSA-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 |