[(2R,3S,4S,5R)-5-(6-Aminopurin-9-Yl)-2-[[[[4-[[3-(2-Hexadec-2-Enoylsulfanylethylamino)-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butoxy]-Oxido-Phosphoryl]Oxy-Oxido-Phosphoryl]Oxymethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C37H64N7O17P3S
IUPAC Name s-[2-[3-[[(2r)-4-[[[(2s,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-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] (e)-hexadec-2-enethioate
Molecular Mass 1003.927 g·mol−1
Heat of Formation -3961.9 ± 16.7 kJ·mol−1
Dipole Moment 9.67 ± 1.08 D
Volume 1152.33 Å 3
Surface Area 973.52 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey JUPAQFRKPHPXLD-OHKONPMHSA-N
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