[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-[3-Carbamoyl-4-[(1R)-1-Hydroxy-2-Oxo-3-Phosphonooxy-Propyl]Pyridin-1-Ium-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate

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Formula C24H33N7O20P3+
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-[(1r)-1-hydroxy-2-oxo-3-phosphonooxy-propyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 832.475 g·mol−1
Heat of Formation -3995.5 ± 16.7 kJ·mol−1
Dipole Moment 17.24 ± 1.08 D
Volume 830.51 Å 3
Surface Area 598.67 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -2.82 ± eV
Point Group Symmetry C1
InChIKey IVZPTIKSOMOSEU-IATPXFKGSA-N
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