Hydrogen-Bonding Abilities for Phenols Assessed by Quantitative Analyses of Their Partition Coefficients Derived from Different Partitioning Systems
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概要
- 論文の詳細を見る
We recently proposed a new hydrogen-accepting scale, S_<HA>, on the basis of the heat of formation calculated by the conductor-like screening model (COSMO) method. In this work, the same approach was applied to a series of compounds with a common hydrogen-donor group. Thus the S_<HA> values for monosubstituted phenols were calculated and used for correlating their log P_<oct> values (P_<oct> : 1-octanol/water partition coefficient) with log P_<CL> (P_<CL> : chloroform/water partition coefficient) and log P_E (P_E : butyl ether/water partition coefficient). It was demonstrated that the S_<HA> parameter works effectively, providing excellent correlations whose physicochemical meanings are well rationalized in terms of hydrogen-bonding characteristics of the substituents.
- 公益社団法人日本薬学会の論文
- 2005-04-01
著者
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TANAHASHI Takao
Kobe Pharmaceutical University
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YAMAGAMI Chisako
Kobe Pharmaceutical University
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Tanahashi Takao
Kobe Pharmaceutical Univ. Kobe Jpn
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HAMASAKI Akira
Kobe Pharmaceutical University
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KUMAGAI Yukiko
Kobe Pharmaceutical University
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MORITOKI Tetsuhiro
Kobe Pharmaceutical University
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Yamagami Chisako
Kobe Pharmaceutical Univ. Kobe Jpn
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