6-Amino-9-{3-Hydroxy-4-(Phosphonooxy)-5-[(20E)-3,5,10-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-9,14,19,26-Tetraoxo-23-Pentyl-2,4,6-Trioxa-18,24-Dithia-11,15-Diaza-3Lambda~5~,5Lambda~5~-Diphosphahexacos-20- En-1-Yl]Tetrahydro-2-Furanyl}-1H-Purin-9-Ium
Properties
| Property | Value |
|---|---|
| Formula | C33H55N7O18P3S2+ |
| IUPAC Name | s-[2-[3-[[4-[[[5-(6-amino-7h-purin-9-ium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-1-hydroxy-3,3-dimethyl-2-oxo-butyl]amino]propanoylamino]ethyl] (e)-5-(2-oxoethylsulfanyl)dec-2-enethioate |
| Molecular Mass | 994.877 g·mol−1 |
| Heat of Formation | 148.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.38 ± 1.08 D |
| Volume | 938.39 Å 3 |
| Surface Area | 672.66 Å 2 |
| HOMO Energy | -8.70 ± 0.55 eV |
| LUMO Energy | -3.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IJSMUHMCIYOVMM-UAQBTBCQSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C S O N |