[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate

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Formula C10H18N5O19P5
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
Molecular Mass 667.141 g·mol−1
Heat of Formation -4795.1 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 596.42 Å 3
Surface Area 443.23 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
InChIKey HNCJNNDWQHLOKR-KQYNXXCUSA-O
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