User afdc6e23db
15-04-2013 16:42:17
I
am using version 5.12.3 of the Calculator Plugins to find the major tautomers
of compounds. When I input two different tautomers of ascorbic acid, I get
different results. The attached figure shows part of the dominant tautomer
distribution for each input structure. Can you please explain why the major
tautomers of the two input structures are different, even though the major
tautomer of each is recognized as a minor tautomer of the other? Also, why is
input 1 recognized as a tautomer of input 2, but not the other way around? I
used the default options to calculate the dominant tautomer distributions.