(2S,3R,4R,5R)-2-(Hydroxymethyl)-5-[6-[(5-Hydroxy-3H-Pyridin-1-Ium-3-Id-2-Yl)Methylamino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-3,4-Diol

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Formula C16H19N6O5
IUPAC Name (2s,3r,4r,5r)-2-(hydroxymethyl)-5-[6-[(5-hydroxy-3h-pyridin-1-ium-3-id-2-yl)methylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 375.359 g·mol−1
Heat of Formation -511.3 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 410.66 Å 3
Surface Area 359.37 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey PWIIJXBGRQGTFB-CNXAATOLSA-O
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