thoughtsose.blogg.se - Free download glucose structure

The alpha-D-glucose structure data file can be imported to most of the cheminformatics software systems and applications. The structure data file (SDF/MOL File) of alpha-D-glucose is available for download in the SDF page of alpha-D-glucose, which provides the information about the atoms, bonds, connectivity and coordinates of alpha-D-glucose.

Structure Data File (SDF/MOL File) of alpha-D-glucose.

The SMILES string of alpha-D-glucose is OCC1OC(O)C(O)C(O)C1O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the alpha-D-glucose.

SMILES (Simplified Molecular-Input Line-Entry System) string of alpha-D-glucose.

quantum Chemical Computation Data (20 sets)Īdditional Information for Identifying Alpha-D-glucose Molecule.

Molecular Orbital (HOMO & LUMO) Visualization.

Normal Mode Frequency Analysis with Animation.

Activity Score for Nuclear Receptor Ligands.

Activity Score for Ion Channel Modulators.

Moriguchi Octanol-Water Partition Coefficient (logP).

Ghose-Crippen Octanol-Water Partition Coefficient (logP).

LogP (Octanol-Water Partition Coefficient).

Heat of Vaporization at Normal Boiling Point.

Upper Flammability Limit Volume Percent.

Lower Flammability Limit Volume Percent.

Standard State Gibbs Energy of Formation.

By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.įor physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum chemical computations: The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of alpha-D-glucose can easily be identified by this visualization.

Mouse wheel zoom is available as well – the size of the alpha-D-glucose molecule can be increased or decreased by scrolling the mouse wheel. The alpha-D-glucose molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. For a better understanding of the chemical structure, an interactive 3D visualization of alpha-D-glucose is provided here.