[(2R,3S,5R)-2-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]-5-(7H-Imidazo[2,1-F]Purine-1,4,9-Triium-7-Id-3-Yl)Tetrahydrofuran-3-Yl] 4-Benzoylbenzoate

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Formula C26H24N5O11P2
IUPAC Name [(2r,3s,5r)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-5-(7h-imidazo[2,1-f]purine-1,4,9-triium-7-id-3-yl)tetrahydrofuran-3-yl] 4-benzoylbenzoate
Molecular Mass 644.443 g·mol−1
Heat of Formation -1933.7 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 663.99 Å 3
Surface Area 531.81 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
InChIKey PUHYRKMCAQETLL-PWRODBHTSA-P
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