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Published April 17, 2007 | Supplemental Material
Journal Article Open

Probing Molecular Shape. 1. Conformational Studies of 5-Hydroxyhexahydropyrimidine and Related Compounds

Abstract

Understanding the factors that determine molecular shape enables scientists to begin to understand and tailor molecular properties and reactivity. Many biomolecules and bioactive compounds contain aliphatic heterocyclic rings whose conformations play a major role in their biological activity. The interplay of a number of factors, both steric and electronic, is examined for 5-hydroxyhexahydropyrimidine (1) and related compounds with use of spectroscopy and molecular modeling.

Additional Information

© 2007 American Chemical Society. Received March 7, 2007. The authors thank Dr. Narsimha Reddy (NMR spectroscopy, University of Western Sydney) and Prof. David Griffith (IR spectroscopy, University of Wollongong) for helpful discussions and technical assistance, and the University of Wollongong for donating computer time. We also thank the Australian Government for the receipt of an Australian Postgraduate Award (J.M.L.) and the University of Western Sydney for partially funding this project.

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August 19, 2023
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