[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Formula C19H30N7O24P5++
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[[(2r,3s,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 895.343 g·mol−1
Heat of Formation -5609.4 ± 16.7 kJ·mol−1
Dipole Moment 7.82 ± 1.08 D
Volume 834.96 Å 3
Surface Area 665.64 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
InChIKey SSPUVBDFNGRJML-KPKSGTNCSA-Q
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