3-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Pentofuranosyl]-3,9-Dihydroimidazo[2,1-I]Purin-6-Ium

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Formula C12H9N5O13P3
IUPAC Name 3-[5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydroimidazo[2,1-i]purin-6-ium
Molecular Mass 524.147 g·mol−1
Heat of Formation -1562.7 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 469.52 Å 3
Surface Area 378.41 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -2.29 ± eV
Point Group Symmetry C1
InChIKey RARRMNKESCMTCG-GTBBIVDNSA-O
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