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Them, the application Molecular Weight Calculator from Matthew Monroe is of particular interest and allows to calculate molecular formula, molecular weight and isotopic distribution and to define the groups and add new atoms. Many small utilities are also available on the internet that were developed in Javascript, Java, SuperCard.
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Like ChemDraw or ACDSketch are able to calculate those parameters but require that you draw the structure. This problem can be even more complex if the molecular weight of a protected form like Cys(Trt)Tyr(tBu)IleGln(Trt)Asn(Trt)ProLeuGlyNH2 has to be calculated. Ing molecular structure : HCysTyrIleGlnAsnCysProLeuGlyNH2.
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Indeed, how to calculate the molecular formula and molecular weight of Oxytocin, a nonapeptide used clinically for the initiation and maintenance of uterineĬontractions, for which the reduced form has the follow For large molecules, and mainly in the peptidic field, this may not always be trivial. So why one more paper about this simple problem ? Indeed this problem seems trivial : you count the number of atoms, check the atomic mass and get directly the molecular weight and elemental composition. Even if today these properties are rarely used to determine the structure of a product, they are still of main importance to calculate the quantities involved in a reaction as well as to check the product purity. During over a century, the molecular weight and the elemental analysis were the main properties used to explain and discover many reactions. A few years later, Avogadro suggested a simple method allowing to determine the relative weight of the different "elementary molecules" that are currently known as atoms. Since the publication by Antoine Lavoisier in 1789 of the "Traité Elementaire de Chimie" where he presents a list of 55 "elements", the chemists have been interested in the atomic composition of a molecule. Received: 15 August 2001 / Uploaded 22 August 2001 Introduction M.Strzody 9, PL-44100 Gliwice, PolandĢ Institute of Organic Chemistry, University of Lausanne, BCH-Dorigny, CH-1015 Lausanne, Switzerland. Easy calculation of molecular formula, molecular weight and isotopic distribution of peptides Fifth International Electronic Conference on Synthetic Organic Chemistry (ECSOC-5),, 1-30 September 2001Įasy calculation of molecular formula, molecular weight and isotopic distribution of peptides.ġ Faculty of Chemistry, Silesian University of Technology, ul.