Chang, Chun-Wei published the artcileAutomated Quantification of Hydroxyl Reactivities: Prediction of Glycosylation Reactions, Quality Control of 87905-98-4, the main research area is predictive stereoselective glycosylation automated quantification hydroxyl group reactivity; carbohydrates; diastereoselectivity; glycosylation; hydroxyl; predictive algorithms.
The stereoselectivity and yield in glycosylation reactions are paramount but unpredictable. We have developed a database of acceptor nucleophilic constants (Aka) to quantify the nucleophilicity of hydroxyl groups in glycosylation influenced by the steric, electronic and structural effects, providing a connection between experiments and computer algorithms. The subtle reactivity differences among the hydroxyl groups on various carbohydrate mols. can be defined by Aka, which is easily accessible by a simple and convenient automation system to assure high reproducibility and accuracy. A diverse range of glycosylation donors and acceptors with well-defined reactivity and promoters were organized and processed by the designed software program “”GlycoComputer”” for prediction of glycosylation reactions without involving sophisticated computational processing. The importance of Aka was further verified by random forest algorithm, and the applicability was tested by the synthesis of a Lewis A skeleton to show that the stereoselectivity and yield can be accurately estimated
Angewandte Chemie, International Edition published new progress about Algorithm. 87905-98-4 belongs to class alcohols-buliding-blocks, name is Benzyl (5-hydroxypentyl)carbamate, and the molecular formula is C13H19NO3, Quality Control of 87905-98-4.
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