[(2R,3S,5R)-3-Hydroxy-5-(4-Oxo-5,8-Dihydroimidazo[2,1-B]Purine-3,6-Diium-8,9A-Diid-1-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H16N5O7P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(4-oxo-5,8-dihydroimidazo[2,1-b]purine-3,6-diium-8,9a-diid-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 373.259 g·mol−1
Heat of Formation -1171.0 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 375.15 Å 3
Surface Area 331.82 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey RJMPOCXSZSTHFH-XLPZGREQSA-Q
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