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Issue 33, 2021
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VCD spectroscopy reveals that a water molecule determines the conformation of azithromycin in solution

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Abstract

We report the IR and VCD spectra of azithromycin, a macrolide antibiotic with a total of 18 stereogenic centers. The computational analysis of the spectra reveals that a single water molecule has to be considered in the conformational search. Its key role is the stabilization of an extended hydrogen bonding network and an otherwise unstable conformation that determines the VCD spectral signatures.

Graphical abstract: VCD spectroscopy reveals that a water molecule determines the conformation of azithromycin in solution

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Article information


Submitted
18 Feb 2021
Accepted
17 Mar 2021
First published
19 Mar 2021

Chem. Commun., 2021,57, 4031-4034
Article type
Communication

VCD spectroscopy reveals that a water molecule determines the conformation of azithromycin in solution

D. P. Demarque, M. Kemper and C. Merten, Chem. Commun., 2021, 57, 4031
DOI: 10.1039/D1CC00932J

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