Structure & Deep Data of D-Galactonic acid (C6H12O7)
Identification of D-Galactonic acid Chemical Compound
| Chemical Formula | C6H12O7 |
|---|---|
| Molecular Weight | 196.15528 g/mol |
| IUPAC Name | (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid |
| SMILES String | OCC(O)C(O)C(O)C(O)C(O)=O |
| InChI | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 |
| InChIKey | RGHNJXZEOKUKBD-MGCNEYSASA-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 D-Galactonic acid molecule contains a total of 24 bond(s). There are 12 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 6 hydroxyl group(s), 1 primary alcohol(s), and 4 secondary alcohol(s). Images of the chemical structure of D-Galactonic acid are given below:
The 2D chemical structure image of D-Galactonic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of D-Galactonic acid 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 D-Galactonic acid 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 D-Galactonic acid. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of D-Galactonic acid is provided here.
The D-Galactonic acid 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 D-Galactonic acid 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 D-Galactonic acid 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 D-Galactonic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of D-Galactonic acid
The SMILES string of D-Galactonic acid is OCC(O)C(O)C(O)C(O)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the D-Galactonic acid.
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Structure Data File (SDF/MOL File) of D-Galactonic acid
The structure data file (SDF/MOL File) of D-Galactonic acid is available for download in the SDF page of D-Galactonic acid, which provides the information about the atoms, bonds, connectivity and coordinates of D-Galactonic acid. The D-Galactonic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of D-Galactonic acid
The molecular formula of D-Galactonic acid is available in chemical formula page of D-Galactonic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of D-Galactonic acid
The molecular weight of D-Galactonic acid is available in molecular weight page of D-Galactonic acid, 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.
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Other names (synonyms) or registry numbers of D-Galactonic acid
The D-Galactonic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of D-Galactonic acid including the various registry numbers, if available:
- Galactonic acid
- 13382-27-9
- 576-36-3
D-Galactonic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of D-Galactonic acid? |
|---|
| C6H12O7 |
| How many atoms and what are the elements included the D-Galactonic acid molecule? |
| 25 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), and 7 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the D-Galactonic acid structure? |
| 24 bond(s) - 12 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 6 hydroxyl group(s), 1 primary alcohol(s), and 4 secondary alcohol(s) |
| What’s the D-Galactonic acid’s molecular weight? |
| 196.15528 g/mol |
| What’s the SMILES code of D-Galactonic acid? |
| OCC(O)C(O)C(O)C(O)C(O)=O |
| What’s the InChI string of D-Galactonic acid? |
| InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 |
| What’s the InChIKey code of D-Galactonic acid? |
| RGHNJXZEOKUKBD-MGCNEYSASA-N |
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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).