An up-to-date salt table is available in your CDD Vault, by clicking on the batch salt field of any registered compound. You can also download the up-to-date table at the same location. If you do not see a necessary salt or solvent, please contact support to request it.
For complete molecule registration guidelines, please look here and here.
Salt table (log-in required)
Solvents of crystallization
An up-to-date list of solvents is available in your CDD Vault, when you edit the solvent field of any batch. If you do not see a necessary solvent, please contact support to request it. You find a partial list here - a full list can be seen in the batch edit mode of a compound (just as for the salts, see below).
Name | CXSMILES |
---|---|
no solvate | |
H2O | O |
Acetone | CC(C)=O |
n-Butanol | CCCCO |
s-Butanol | CCC(C)O |
t-Butanol | CC(C)(C)O |
Diethyl ether | CCOCC |
Dimethylsulfoxide | CS(C)=O |
1,4-Dioxane | C1COCCO1 |
Ethanol | CCO |
Ethylacetate | CCCC(O)=O |
Hexane | CCCCCC |
Isobutanol | CC(C)CO |
Isopropanol | CC(C)O |
Methanol | CO |
Methylene Chloride | ClCCl |
Pentane | CCCCC |
n-Propanol | CCCO |
Tetrahydrofuran | C1CCOC1 |
Salt table
An up-to-date salt table is available in your CDD Vault, by clicking on the batch salt field of any registered compound. Or click here and log-in to your CDD account, to go directly to the salt table. You can also download the up-to-date table from the CDD salt table.
Every salt in the table contains the following fields:
Name | The standard salt name that is displayed in the batch information. |
Code | Salt code prefix that is used in bath naming in some vaults. |
Salt vendor strings |
Synonyms that will be accepted during compound registration, when the salt and stoichiometry are imported as a separate "salt" batch field. |
Structure |
SMILES structure of the salt that will be used for automated salt stripping from structure. Please note that most salts will be stored in neutralized form. |