[(2R)-3-(1,3-Dimethyl-2,6-Dioxo-Purin-9-Ium-5-Id-7-Yl)-2-Hydroxy-Propyl] 4-Benzyloxybenzoate

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Formula C24H25N4O6
IUPAC Name [(2r)-3-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)-2-hydroxy-propyl] 4-benzyloxybenzoate
Molecular Mass 465.478 g·mol−1
Heat of Formation -699.5 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 532.92 Å 3
Surface Area 459.38 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey UICOUEHLHJQISH-KMFTYDHNSA-P
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