5'-O-[{[(2-Cyanoethoxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphorothioyl]Adenosine

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Properties Simple | Detailed

Formula C13H7N6O9P2S
IUPAC Name [(3s)-3-[[5-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-3,4-dioxo-tetrahydrofuran-2-yl]methoxy]oxathiaphosphiran-3-ium-3-yl] 2-cyanoethynyl phosphate
Molecular Mass 485.242 g·mol−1
Heat of Formation -104.9 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 470.03 Å 3
Surface Area 381.7 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -4.05 ± eV
Point Group Symmetry C1
InChIKey JOYCYBBHTRKFTI-FZFRWUDNSA-N
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