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

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Formula C10H7N5O12P3S
IUPAC Name [(5r)-5-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-3,4-dioxo-tetrahydrofuran-2-yl]methyl [(3s)-3-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]oxathiaphosphiran-3-ium-3-yl] phosphate
Molecular Mass 514.175 g·mol−1
Heat of Formation -1120.9 ± 16.7 kJ·mol−1
Dipole Moment 19.83 ± 1.08 D
Volume 460.47 Å 3
Surface Area 365.98 Å 2
HOMO Energy -7.66 ± 0.55 eV
LUMO Energy -3.59 ± eV
Point Group Symmetry C1
InChIKey XGAOYVYIONYFMI-AJBXOXQOSA-N
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