[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate

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Formula C10H18N5O18P5
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
Molecular Mass 651.141 g·mol−1
Heat of Formation -4614.3 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 595.68 Å 3
Surface Area 452.69 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
InChIKey KALNULYICOWUDE-RRKCRQDMSA-O
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