[(2R,3S,5R)-5-[2-Amino-6-(4-Oxo-4-Pyridin-1-Ium-3-Id-3-Yl-Butoxy)Purine-1,3,7-Triium-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C19H24N6O8P
IUPAC Name [(2r,3s,5r)-5-[2-amino-6-(4-oxo-4-pyridin-1-ium-3-id-3-yl-butoxy)purine-1,3,7-triium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 495.403 g·mol−1
Heat of Formation -1339.2 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 525.16 Å 3
Surface Area 466.02 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
InChIKey AJKWBKTWBCWJKL-RRFJBIMHSA-O
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