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

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Formula C10H17N5O13P3+
IUPAC Name [[(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-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 508.189 g·mol−1
Heat of Formation -1257.9 ± 16.7 kJ·mol−1
Dipole Moment 14.03 ± 1.08 D
Volume 434.61 Å 3
Surface Area 330.66 Å 2
HOMO Energy -7.75 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
InChIKey WFSVITMLXASJHB-GAWUUDPSSA-O
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