[[(2R,3S,5R)-5-(2-Amino-6,8-Dioxo-1,7-Dihydropurin-3-Ium-5-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H17N5O14P3
IUPAC Name [[(2r,3s,5r)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-3-ium-5-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 524.188 g·mol−1
Heat of Formation -3317.0 ± 16.7 kJ·mol−1
Dipole Moment 9.69 ± 1.08 D
Volume 487.88 Å 3
Surface Area 412.95 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey VRVOIRNCOUOFGB-OASYOOPKSA-P
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