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Computer‐assisted retention prediction system in reversed‐phase HPLC for O ‐ethyl O ‐aryl N ‐isopropyl phosphoramidothioates
Author(s) -
Wang QinSun,
Gao RuYu,
Yang HuaZheng,
Yan BingWen
Publication year - 1991
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19910090510
Subject(s) - chemistry , isopropyl , steric effects , high performance liquid chromatography , chromatography , phase (matter) , retention time , aryl , medicinal chemistry , organic chemistry , alkyl
A computer‐assisted retention prediction system (RPS) of fifteen O ‐ethyl O ‐aryl N ‐isopropyl phosphoramidothioates ( 1 ) in reversed‐phase HPLC was investigated. The system is based on the use of four physicochemical parameters (hydrophobicity II, electric effect σ, field effect F and steric effect E s ) which is closely related to the retention mechanism in reversed‐phase HPLC. The system was evaluated by comparing the measured retention data with the predicted ones. The predicted values were consistent with the measured values within a relative error of 11.5%.