2-{(E)-[(Dimethylamino)Methylene]Amino}-9-(2-O-[Dimethyl(2-Methyl-2-Propanyl)Silyl]-5-O-{[Ethyl(Vinyl)Amino](Hydroxy)Phosphoryl}-β-D-Ribofuranosyl)-9H-Purine

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Properties Simple | Detailed

Formula C23H40N7O6PSi
IUPAC Name [(2r,3r,4r,5r)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[(e)-dimethylaminomethyleneamino]purine-1,3,7-triium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-ethyl-n-vinyl-phosphonamidic acid
Molecular Mass 569.666 g·mol−1
Heat of Formation -1177.2 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 682.97 Å 3
Surface Area 509.0 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey KDKWREOBESUYPO-FXQIDPKWSA-N
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Elements C H O N P Si