The full standard InChI of beta-D-glucose is: InChI (IUPAC International Chemical Identifier) information of beta-D-glucoseĪn alternative way of expressing structural information in text format is InChI.The chemical formula of beta-D-glucose is given in chemical formula page of beta-D-glucose, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. The molecular weight of beta-D-glucose is available in molecular weight page of beta-D-glucose, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

quantum Chemical Computation Data (20 sets)Īdditional Information for Identifying Beta-D-glucose Moleculeīy visualizing the structure data file (SDF/MOL File) above, the chemical structure image of beta-D-glucose is available in chemical structure page of beta-D-glucose, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.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.Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.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 structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. It starts with a header block, followed by 'connection table’, which describes the structural relationships and properties of the atoms. The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of beta-D-glucose molecule. Click the link below to start downloading.ĭownload structure data file (SDF/MOL File) The structure data file (SDF/MOL File) of beta-D-glucose is available for download.

Glucose structure download