Advanced Chemistry Development, Inc

ChemSketch is a professional software package that is available free of charge from Advanced Chemistry Development Inc. (ACD). Besides the editor, it has several modules (ACD/Dictionary, ACD/Tautomers), extensions, and add-ins concerning the calculation of physicochemical properties, input of spectra and chromatograms, naming of molecules, and a viewer. 

Advanced Chemistry Development Inc., Toronto, Canada. ACD/Solubility DB computer program, http //www.acdlabs. com. 

Advanced Chemistry Development Inc. has built a sizeable proton chemical shift database derived from published spectra (most commonly in CDCI3 solution). Their H NMR predictor programme accesses this database and allows the prediction of chemical shifts. Whilst this software takes account of geometry in calculating scalar couplings, in predicting chemical shifts it essentially treats the structure as planar. It would therefore seem doomed to failure. However, if closely related compounds, run at infinite dilution and in the same solvent, are present in the database, the conformation is implied and the results can be quite accurate. Of course, the results will not be reliable if sub-structures are not well represented within the database and the wide dispersion of errors (dependent on whether a compound is represented or not) can cause serious problems in structure confirmation (later). ACD are currently revising their strict adherence to HOSE codes for sub-structure identification and this will hopefully remove infrequent odd sub-structure selections made currently. 

Advanced Chemistry Development Inc., 90 Adelaide Street W., Suite 702, Toronto, Ontario,... 

PhysChem Batch Advanced Chemistry Development Inc. www.acdlabs.com pKa, log Kow, log D, K c, bioconcentration factor, solubility at a certain pH, boiling point, vapor pressure, enthalpy of vaporization, flash point, macroscopic properties... 

Advanced Chemistry Development, Inc., 110 Yonge St, 14th Floor, Toronto, Ontario, M5C 1T4, Canada. 

ACD/Log D Sol Suite, version 7.0, Advanced Chemistry Development, Inc., Toronto ON, Canada, www.acdlabs.com. 

Advanced Chemistry Development, Inc., 90 Adelaide St. West, Suite 600, Toronto, Ont., Canada MH5 3 V9. 

Queen Mary College, London Advanced Chemistry Development, Inc An extensive set of organic chemistry links ... 

ChemSketch A commonly used chemical drawing program for 2D and 3D structures, copyright of Advanced Chemistry Development, Inc. The program has certain additional features including calculation of molecular weight, calculation of percentages... 

These early studies are in agreement with our structural studies in determination of torsional angels and bond distances as calculated by ACD software 3D Viewer, Version 4.5 (Advanced Chemistry Development Inc. Toronto, Canada) and depicted in Scheme 2. 

Advanced Chemistry Development, Inc. (ACD), Toronto, Canada. MS Manager, Version 11.01, 2007. 

Advanced Chemistry Development, Inc www.acdlabs.com/iupac/nomenclature... 

Specinfo data base. Chemical Concepts, STN, Karlsruhe, see W. Robien, CSEARCH, http //felix.orc.univie.ac/ wt/csearch serverJnfoJitml S. V. Trepalin, A. V. Yarkov, 1. M. Dolmatova, N. S. Zefirov, and S. A. E. Finch, J. Chem. Inf. Comput. Sci., 35 (1995), 405 CNMR data base. Advanced Chemistry Development, Inc., 133 Richmond Street West, Suite 605 Toronto, Ontario, Canada MSH 2LS. 

The predicted most acidic pJQ of this species is 5.1 (ACD/LC Simulator v8.04, Advanced Chemistry Development, Inc.). It can be concluded that pH <3.1 should be reasonable for examination of this species. If we knew the structures of impurities we could also predict for these, of course. Our next step is to design a gradient experiment around this pH and inject... 

Fig. 8. Optimization of pH for l,4-bis[(2-pyridin-2-ylethyl)thio]butane-2,3-diol and three unknown impurities ACD/LC Simulator v8.04, Advanced Chemistry Development, Inc.

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