I Lab Services 
4.14.1 Structure Tab 
The first set of preferences to be decided upon is the Structure.  It specifies the preferred stereo 
conventions which will be used in name generation. 
Note 
In order for the stereochemistry of a chiral center of a sketched in molecule to be 
taken into account, the active centers must be designated with stereo bonds. 
4.14.1.1 Ignore Stereochemistry 
Specifies whether to ignore the configuration of carbon centers and carbon carbon double bonds 
or to take them into account and attribute corresponding stereodescriptors.  In the last case an 
asymmetric site will have its stereochemistry explicitly denoted in its name.  
For example: 
CH
3
H C
3
CH
3
H C
3
OH
Yes 
2 butene 2 butanol 
No 
2 butene, (2Z)  2 butanol, 
(2R)  
4.14.1.2  Stereo Wedge Direction 
This allows the user to choose between two possible procedures of stereo bond analysis.  
If Yes is selected, the  up  and  down  wedges which specify stereo centers will be analyzed with 
regard to their directions (depending on which atom a narrow end is attached).  
If No is selected, the sign ( up  or  down ) of the stereo wedge doesn't depend on the direction. 
For example: 
Cl
Cl
Cl
H C
3
H C
3
H C
3
CH
3
CH
3
CH
3
Yes 
butane, 2 chloro , (2R)  butane, 2 chloro , (2S)  butane, 2 chloro , (2R) 
No 
butane, 2 chloro , (2R)  butane, 2 chloro , (2R)  butane, 2 chloro , (2R) 
Note 
If  ignore  is selected, stereo bonds are not allowed between two chiral centers.  
For example: 
Br
OH
                                          
Cl
CH
3
Take into account  1 propanol, 3 bromo 3 chloro , (2R,3R)  
Ignore 
Refused to name 
ACD/I Lab via ChemSketch  
User's Guide 
40 






footer




 

 

 

 

 Home | About Us | Network | Services | Support | FAQ | Control Panel | Order Online | Sitemap | Contact

filemaker web hosting

 

Our web partners: Inexpensive Web Hosting Jsp Web Hosting Jsp Web Hosting Cheapest Web Hosting  Java Web Hosting

 Quality Web Templates Dreamweaver Web Templates Frontpage Web Templates

Jsp Web Hosting Cheapest Hosting Cheapest Web Hosting Java Web Hosting Tomcat Web Hosting

Quality Web Hosting Best Web Hosting Java Web Hosting

Visionwebhosting.net Business web hosting division of Vision Web Hosting Inc.. All rights reserved