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

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Formula C18H20ClN4O6
IUPAC Name [(2r)-3-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)-2-hydroxy-propyl] 2-(4-chlorophenoxy)acetate
Molecular Mass 423.828 g·mol−1
Heat of Formation -808.8 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 462.12 Å 3
Surface Area 418.29 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey XAUHLKNIARDMGI-UWTIGNOOSA-P
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Elements H C N O Cl