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

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Properties Simple | Detailed

Formula C20H24ClN4O6
IUPAC Name [(2r)-3-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)-2-hydroxy-propyl] 2-(4-chlorophenoxy)-2-methyl-propanoate
Molecular Mass 451.881 g·mol−1
Heat of Formation -940.8 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 499.45 Å 3
Surface Area 371.3 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey AZVUXIDVFIEOQG-IUDNXUCKSA-P
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Elements H C N O Cl