[(2R,3R,4R,5R)-3-Hydroxy-5-(3H-Imidazo[2,1-I]Purin-3-Yl)-4-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl [(2R,3S,4R,5R)-3,4,5-Trihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Formula C17H24N5O17P3
IUPAC Name [hydroxy-[[(2r,3r,4r,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 663.317 g·mol−1
Heat of Formation -1193.2 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 623.14 Å 3
Surface Area 458.88 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey KWEQFQACRLGUSH-QJWJOKBXSA-N
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