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

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Properties Simple | Detailed

Formula C10H17N5O12P3
IUPAC Name [[(2r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 492.190 g·mol−1
Heat of Formation -2858.5 ± 16.7 kJ·mol−1
Dipole Moment 13.37 ± 1.08 D
Volume 466.51 Å 3
Surface Area 381.0 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
InChIKey QDWYBFSUUMKKMU-PHDIDXHHSA-P
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