|TUD Organische Chemie||Immel||Publications||Papers||Abstract 01||View or Print (this frame only)|
Frieder W. Lichtenthaler, Stefan Immel, and Uwe Kreis
Starch/Stärke 1991, 43, 121-132.
Following a historical account on the establishment of the constitutional formula of sucrose and of its conformational features, the present possibilities for interactive graphics display of its molecular geometry, based on X-ray structural data, are given. In addition, the MOLCAD program-computed contact surface is presented as well as - in a 16 color code ranging from violet to red - the electrostatic potential and, most relevant for structure-sweetness considerations - its hydrophobicity potential profile on the contact surface. Finally, an attempt is made to towards a tentative assessment of the computer-generated distribution of hydrophilic and hydrophobic regions over the surface of the sucrose molecule in terms of the "sweetness triangle" AB-B-X-concept. Also given are the graphic displays for the contact surfaces and the hydrophobicity profiles of leucrose, isomaltulose, and its reduction products α-glucosyl-mannitol and -sorbitol.
Additional Graphics: Sucrose