5'-O-(Hydroxy{[Hydroxy(Thiophosphonooxy)Phosphoryl]Oxy}Phosphoryl)Inosine

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Formula C10H15N4O13P3S
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
Molecular Mass 524.231 g·mol−1
Heat of Formation -2979.1 ± 16.7 kJ·mol−1
Dipole Moment 13.54 ± 1.08 D
Volume 492.57 Å 3
Surface Area 378.83 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey BPRLNEMHHOIJBX-KQYNXXCUSA-N
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