[(2R,3S,4R,5R)-5-[2-(Dimethylamino)-6-Oxo-1H-Purine-3,7-Diium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C12H18N5O8P
IUPAC Name [(2r,3s,4r,5r)-5-[2-(dimethylamino)-6-oxo-1h-purine-3,7-diium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 391.274 g·mol−1
Heat of Formation -1520.3 ± 16.7 kJ·mol−1
Dipole Moment 9.53 ± 1.08 D
Volume 403.97 Å 3
Surface Area 345.35 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey XHZWWXRKQPAFRJ-IOSLPCCCSA-P
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