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Updated: Aug 18, 2026
Nucleoside Triphosphates - From Synthesis to Biochemical Characterization
Published on: April 3, 2014
Three-dimensional structural analysis of avian-teratogenic pyrimidine dialkyl phosphate esters and their analogs by
1Laboratory of Food Chemistry, Himeji College of Hyogo, Japan.
Abstract:
The most stable structures of avian-teratogenic pyrimidinyl dialkyl phosphates and phosphorothionates at semi-empirical molecular orbital (MO) AM1 method level were obtained to get net charges of nitrogen (N) and phosphorus (P), distances between 1-N and P, and twist angles between plane of the heterocycle and that made by C-O-P. These geometries of typical compounds were optimized by ab initio MO calculations at level of HF/6-31 G*. In the most potent teratogens, distances between 1-N and P were 4.3-5.4 A. Compounds of about 3 A has no teratogenicity.
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