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Structure & Deep Data of Aldohexose (C6H12O6)

Identification of Aldohexose Chemical Compound

2D chemical structure image of Aldohexose
Chemical Formula C6H12O6
Molecular Weight 180.15588 g/mol
IUPAC Name 2,3,4,5,6-pentahydroxyhexanal
SMILES String OCC(O)C(O)C(O)C(O)C=O
InChI InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
InChIKey GZCGUPFRVQAUEE-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Aldohexose molecule contains a total of 23 bond(s). There are 11 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 aldehyde(s) (aliphatic), 5 hydroxyl group(s), 1 primary alcohol(s), and 4 secondary alcohol(s). Images of the chemical structure of Aldohexose are given below:

2D chemical structure image of Aldohexose
2-dimensional (2D) chemical structure image of Aldohexose
3D chemical structure image of Aldohexose
3-dimensional (3D) chemical structure image of Aldohexose

The 2D chemical structure image of Aldohexose is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Aldohexose are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Aldohexose is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Aldohexose. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of Aldohexose is provided here.

The Aldohexose molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Aldohexose molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Aldohexose can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Additional Information for Identifying Aldohexose Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of Aldohexose

    The SMILES string of Aldohexose is OCC(O)C(O)C(O)C(O)C=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Aldohexose.

  • Structure Data File (SDF/MOL File) of Aldohexose

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

  • Chemical formula of Aldohexose

    The molecular formula of Aldohexose is available in chemical formula page of Aldohexose, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of Aldohexose

    The molecular weight of Aldohexose is available in molecular weight page of Aldohexose, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of Aldohexose

    The Aldohexose compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Aldohexose including the various registry numbers, if available:

    • F25D46D2-AF25-42CF-BA85-09669814B5DC
    • EN300-49119
    • 45009-62-9
    • AR-1J2898
    • AR-1I3431
    • SGCUT00120
    • D-(+)-GLUCOSE, ACS
    • L-Glucose-1-3H(N) solution
    • GLUCOSE (D)
    • 25191-16-6
    • Hexose #
    • Galactose, D-
    • L -Mannopyranose
    • dl glucose
    • aldohexoses
    • D-(+)-ALTROSE
    • Altrose, D-
    • D-Glucose, anhydrous
    • Dextrose, anhydrous
    • Glucose, anhydrous
    • Sugar, grape
    • 50-99-7
    • 2595-97-3
    • Glucose liquid
    • Sirup
    • Glucolin
    • Dextrosol
    • Dextropur
    • 3458-28-4
    • 1990-29-0
    • D-(+)-Talose
    • D-(+) Glucose
    • Dextrose (polymer)
    • Cerelose
    • Cartose
    • D(+)-Glucose
    • Mannose, D-
    • d-(1-14c)glucose
    • L-(1-14C)Glucose
    • Aldohexose

Aldohexose Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Aldohexose?
C6H12O6
How many atoms and what are the elements included the Aldohexose molecule?
24 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Aldohexose structure?
23 bond(s) - 11 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 aldehyde(s) (aliphatic), 5 hydroxyl group(s), 1 primary alcohol(s), and 4 secondary alcohol(s)
What’s the Aldohexose’s molecular weight?
180.15588 g/mol
What’s the SMILES code of Aldohexose?
OCC(O)C(O)C(O)C(O)C=O
What’s the InChI string of Aldohexose?
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
What’s the InChIKey code of Aldohexose?
GZCGUPFRVQAUEE-UHFFFAOYSA-N

8112 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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