6-Amino-9-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Pentofuranosyl]-7H-Purin-9-Ium

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Formula C10H18N5O13P3
IUPAC Name [3-[[(2r,3s,4r,5r)-5-(6-amino-7,8-dihydropurine-1,3-diium-5,8-diid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxydioxaphosphiran-3-ium-3-yl] hydrogen phosphate
Molecular Mass 509.197 g·mol−1
Heat of Formation -2582.0 ± 16.7 kJ·mol−1
Dipole Moment 9.52 ± 1.08 D
Volume 454.54 Å 3
Surface Area 364.03 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -2.09 ± eV
Point Group Symmetry C1
InChIKey WFSVITMLXASJHB-KQYNXXCUSA-O
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