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

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Formula C26H24N5O12P2
IUPAC Name [[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(7h-imidazo[2,1-f]purine-1,4,9-triium-7-id-3-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] 4-benzoylbenzoate
Molecular Mass 660.443 g·mol−1
Heat of Formation -2171.0 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 674.02 Å 3
Surface Area 466.33 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey DYTFMZXIVUBJCT-PXOHRUDZSA-P
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