Valence change from OH sometimes removes H sometimes not

User 677b9c22ff

01-10-2009 22:36:11

Hi,


If I paste a molecule and want to change the valence to (-1) on an -OH group


it will not remove the O-H hydrogen, but give a valence error and create C-OH(-).


Only if I delete the -OH group and then change the valence to (-1) it will remove the hydrogen


and give the correct charge of -1.


 


The same happens if I change a single bond to a double bond by double clicking. Instead of


removing the hydrogens it shows me an valence error. If I redraw, its fine, it will at least on the


outer methyl bonds remove the hydrogen, but not on the inner CH2 groups.


 


Is there a way to delete  hydrogens? Even if explicit hydrogens are on, I can not remove the


hydrogen, they are stuck to the carbon or oxygen. This is MarvinSketch 5.2.5.1


 


Tobias


Test molecule:


[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]

ChemAxon 990acf0dec

05-10-2009 09:15:37

Hi Tobias,


Your test molecule contains explicit hydrogens, and of course they are not removed upon changes of bonds or charges. If you want automatic addition/removal of hydrogens, please implicitize them first (Structure > Remove > Remove Explicit Hydrogens).


Best regards,


Akos