[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-[(3-Oxo-1,2,3Λ5-Dioxaphosphiran-3-Yl)Oxy]Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(3R)-3-Hydroxy-4-[[3-[2-[(3S)-3-Hydroxydecanoyl]Sulfanylethylamino]-3-Oxo-Propyl]Amino]-2,2-Dimethyl-4-Oxo-Butyl] Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C31H54N7O18P3S |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(3r)-3-hydroxy-4-[[3-[2-[(3s)-3-hydroxydecanoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] phosphate |
| Molecular Mass | 937.783 g·mol−1 |
| Heat of Formation | -3512.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.42 ± 1.08 D |
| Volume | 1010.51 Å 3 |
| Surface Area | 805.77 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | -1.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HKEJSBMWQRCVHY-PNPVFPMQSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |