2,2-Dimethylpropionic acid [8-chloro-3-(2,2-dimethylpropionyloxymethyl)-2,6-dioxo-2,3,6,7-tetrahydropurin-1-yl]methyl ester
Basic information
- Standard SMILES
CC(C)(C)C(=O)OCn1c(=O)c2[nH]c(Cl)nc2n(COC(=O)C(C)(C)C)c1=O- InChIKey
LQYAGNICKGIJPU-UHFFFAOYSA-N- Molecular formula
- C17H23ClN4O6
- Average molar mass
- 414.8 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethylpropionic acid [8-chloro-3-(2,2-dimethylpropionyloxymethyl)-2,6-dioxo-2,3,6,7-tetrahydropurin-1-yl]methyl ester
- IUPAC
- [8-chloro-1-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxo-7H-purin-3-yl]methyl 2,2-dimethylpropanoate
Names & synonyms
LQYAGNICKGIJPU-UHFFFAOYSA-N2,2-Dimethylpropionic acid [8-chloro-3-(2,2-dimethylpropionyloxymethyl)-2,6-dioxo-2,3,6,7-tetrahydropurin-1-yl]methyl ester2,2-Dimethylpropionic acid [8-chloro-3-(2,2-dimethylpropionyloxymethyl)-2,6-dioxo-2,3,6,7-tetrahydropurine-1-yl]methyl ester
Database identifiers
- PubChem CID
- 23536889
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Related reactions
4 records
Compound notes
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