[[(2S,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Azido-4-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H17N8O13P3
IUPAC Name [[(2s,3r,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 550.209 g·mol−1
Heat of Formation -2696.8 ± 16.7 kJ·mol−1
Dipole Moment 10.81 ± 1.08 D
Volume 507.92 Å 3
Surface Area 380.03 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
InChIKey DPBVBOKPZAZHHN-AYQXTPAHSA-P
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