2-{[2-Chloro-6-(Methylamino)-9H-Purin-9-Yl]Methyl}-1,3-Propanediyl Bis(2,2-Dimethylpropanoate)

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Formula C20H30ClN5O4
IUPAC Name [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate
Molecular Mass 439.936 g·mol−1
Heat of Formation -703.2 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 533.01 Å 3
Surface Area 406.62 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [2-[(2-chloro-6-methylamino-9-purinyl)methyl]-3-(2,2-dimethyl-1-oxopropoxy)propyl] ester
  • 2,2-dimethylpropionic acid [2-[(2-chloro-6-methylamino-purin-9-yl)methyl]-3-pivaloyloxy-propyl] ester
  • [2-[(2-chloro-6-methylamino-purin-9-yl)methyl]-3-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate
InChIKey NASABYJQIYJDID-UHFFFAOYSA-N
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Elements H C N O Cl