2-[4-[[(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]Oxy-6-Hydroxy-3,5-Dimethyl-Pyridin-1-Ium-3-Id-2-Yl]Acetic Acid

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Formula C19H24N6O11P
IUPAC Name 2-[4-[[(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]oxy-6-hydroxy-3,5-dimethyl-pyridin-1-ium-3-id-2-yl]acetic acid
Molecular Mass 543.401 g·mol−1
Heat of Formation -2007.4 ± 16.7 kJ·mol−1
Dipole Moment 9.68 ± 1.08 D
Volume 569.0 Å 3
Surface Area 471.88 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey XMKOXQBEWGIDNJ-ACDAHVMNSA-P
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