[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-[2-(3,3,3-Trifluoro-2-Oxo-Propyl)Sulfanylethylamino]Propyl]Amino]Butyl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C24H39F3N7O17P3S |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3,3,3-trifluoro-2-oxo-propyl)sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate |
Molecular Mass | 879.585 g·mol−1 |
Heat of Formation | -4386.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.61 ± 1.08 D |
Volume | 896.99 Å 3 |
Surface Area | 750.49 Å 2 |
HOMO Energy | -9.30 ± 0.55 eV |
LUMO Energy | -1.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | WWQFOTPEJTZPKV-GRFIIANRSA-O |
QR Code | Generate QR Code |
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Elements | C F H O N P S |