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Rotamers in Crystal Structures of Xylitol, D-Arabitol and L-Arabitol.
Wanat, Monika; Malinska, Maura; Kucia, Malgorzata; Sicinski, Rafal R; Wozniak, Krzysztof.
Afiliación
  • Wanat M; Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, 101 Zwirki i Wigury, 02-089 Warszawa, Poland.
  • Malinska M; College of Inter-Faculty Individual Studies in Mathematics and Natural Sciences (MISMaP), University of Warsaw, 2C Stefana Banacha, 02-097 Warszawa, Poland.
  • Kucia M; Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, 101 Zwirki i Wigury, 02-089 Warszawa, Poland.
  • Sicinski RR; Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, 101 Zwirki i Wigury, 02-089 Warszawa, Poland.
  • Wozniak K; Department of Chemistry, University of Warsaw, Pasteura 1, 02-089 Warszawa, Poland.
Int J Mol Sci ; 23(7)2022 Mar 31.
Article en En | MEDLINE | ID: mdl-35409233
Rotamers are stereoisomers produced by rotation (twisting) about σ bonds and are often rapidly interconverting at room temperature. Xylitol-massively produced sweetener-(2R,3r,4S)-pentane-1,2,3,4,5-pentol) forms rotamers from the linear conformer by rotation of a xylitol fragment around the C2-C3 bond (rotamer 1) or the C3-C4 bond (rotamer 2). The rotamers form two distinguishable structures. Small differences in geometry of rotamers of the main carbon chain were confirmed by theoretical calculations; however, they were beyond the capabilities of the X-ray powder diffraction technique due to the almost identical unit cell parameters. In the case of rotamers of similar compounds, the rotations occurred mostly within hydroxyl groups likewise rotations in L-arabitol and D-arabitol, which are discussed in this work. Our results, supported by theoretical calculations, showed that energetic differences are slightly higher for rotamers with rotations within hydroxyl groups instead of a carbon chain.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Alcoholes del Azúcar / Xilitol Idioma: En Revista: Int J Mol Sci Año: 2022 Tipo del documento: Article País de afiliación: Polonia Pais de publicación: Suiza
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Alcoholes del Azúcar / Xilitol Idioma: En Revista: Int J Mol Sci Año: 2022 Tipo del documento: Article País de afiliación: Polonia Pais de publicación: Suiza