[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S,5S,6R)-3,4-Dihydroxy-5-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-1-Ium-5-Id-4-Yl]Methylamino]-6-Methyl-Tetrahydropyran-2-Yl] Hydrogen Phosphate

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Formula C24H37N7O19P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s,5s,6r)-3,4-dihydroxy-5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-1-ium-5-id-4-yl]methylamino]-6-methyl-tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 820.507 g·mol−1
Heat of Formation -3973.5 ± 16.7 kJ·mol−1
Dipole Moment 10.78 ± 1.08 D
Volume 839.35 Å 3
Surface Area 694.6 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey VDIHEYIDGIGZNF-VMLLIFSYSA-P
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