3-(1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydro-7H-Purin-7-Yl)-2-Hydroxypropyl (4-Chlorophenoxy)Acetate

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Formula C18H20ClN4O6
IUPAC Name [(2s)-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 -802.6 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 461.01 Å 3
Surface Area 417.82 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey YMCNTAHTWKEECY-GFCCVEGCSA-N
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Elements H C N O Cl