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
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Synonyms
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- 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
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InChIKey |
NASABYJQIYJDID-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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