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

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Properties Simple | Detailed

Formula C10H16N5O14P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 523.180 g·mol−1
Heat of Formation -3260.7 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 488.96 Å 3
Surface Area 406.38 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
InChIKey WFPOAEGJTQISGS-UUOKFMHZSA-P
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