[(2R,3S,5R)-5-[2-[(2-Amino-3-Methyl-Imidazo[4,5-F]Quinolin-3-Ium-3A-Ylium-5-Yl)Amino]-6-Oxo-1,8-Dihydropurine-2,3,4,5,7,8-Hexaid-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C21H28N9O7P
IUPAC Name [(2r,3s,5r)-5-[2-[(2-amino-3-methyl-imidazo[4,5-f]quinolin-3-ium-3a-ylium-5-yl)amino]-6-oxo-1,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 549.477 g·mol−1
Heat of Formation -999.7 ± 16.7 kJ·mol−1
Dipole Moment 8.27 ± 1.08 D
Volume 576.17 Å 3
Surface Area 476.87 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey UREWNNCFPTXEDO-BFHYXJOUSA-N
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