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N,N-dimethyl-5-methoxymethyl-2'-deoxycytidine.
G F Audette1, W M Zoghaib, S V Gupta
1Department of Biochemistry, University of Saskatchewan, Saskatoon, Canada.
Summary
This study details the molecular structure of a pyrimidine nucleoside analog, C13H21N3O5. Researchers determined the specific antiperiplanar conformation of the pyrimidine ring and the 2
Area of Science:
- Crystallography
- Structural Chemistry
- Molecular Biology
Background:
- Understanding the three-dimensional structure of nucleoside analogs is crucial for drug design.
- The conformation of the pyrimidine ring and deoxyribose sugar influences molecular interactions and biological activity.
Purpose of the Study:
- To elucidate the precise molecular conformation of the title compound, C13H21N3O5.
- To characterize the spatial arrangement of the pyrimidine ring, deoxyribose sugar, and exocyclic side chain.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed.
- Conformational analysis was performed using crystallographic data.
Main Results:
- The pyrimidine ring was found to adopt an antiperiplanar (-ap) conformation.
- The deoxyribose sugar exhibited a C2'-exo-C3'-endo (2T3) twist conformation.
- The exocyclic side chain at C5' displayed a g+ conformation, with the 5-methoxymethyl group positioned distally.
Conclusions:
- The detailed structural analysis provides a foundation for understanding the properties of this nucleoside analog.
- The determined conformation offers insights into potential biological roles and interactions.