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Systematic assignment of NMR spectra of 5-substituted-4-thiopyrimidine nucleosides


Correspondence to: Xiaohui Zhang, College of Environment and Chemical Engineering, Dalian University, Dalian 116622, China. E-mail:

Correspondence to: Yao-Zhong Xu, Department of Life, Health and Chemical Sciences, The Open University, Walton Hall, Milton Keynes MK7 6AA, UK. E-mail:


Unambiguous characterization of 5-substituted-4-thiopyrimidine nucleosides (ribonucleosides and 2'-deoxynucleosides) was performed using NMR spectroscopy. Assignments of all proton and carbon signals of 5-bromo-4-thiouridine and related nucleosides were systematically carried out and firmly established by COSY and HMQC techniques. The NMR data of various 4-thiopyrimidine nucleosides are compared, and the key contributing factors discussed. The approach presented here is applicable to other modified nucleosides and nucleotides, as well as nucleobases. Copyright © 2013 John Wiley & Sons, Ltd.