Need help: PKa of deoxyschizandrin

User 4845295623

17-06-2013 01:54:59

Hi, would you like to tell me how
to calculate the PKa value of a new compound, is there any software available?

It will be very appreciated for
your kindly reply, i really need this help.

User 4845295623

17-06-2013 04:25:35

Hi, i have calculated the PKa value of  deoxyschizandrin by ChemAxon, however, because this compound is very stable, water-solubility is ver low, PKa value can not be numerated. As shown in the attchment, i would like to know that if the value of 35.74 can be regarded as its PKa value?

User 851ac690a0

18-06-2013 14:40:44



Yes, it is a pKa value. 

But, If you want to create any phys. chem.  model in water, it is enough to consider the pKa values in the range [ -2.0, 16.0]. Outside of this boundary values you can omit the pKa values.