Formula of Alpha-D-Mannose (C6H12O6)
Identification of Alpha-D-Mannose Chemical Compound
| Chemical Formula | C6H12O6 |
|---|---|
| Molecular Weight | 180.15588 g/mol |
| IUPAC Name | (2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| SMILES String | OCC1OC(O)C(O)C(O)C1O |
| InChI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 |
| InChIKey | WQZGKKKJIJFFOK-PQMKYFCFSA-N |
Chemical Formula Description
The alpha-D-Mannose molecule contains a total of 24 atom(s). There are 12 Hydrogen atom(s), 6 Carbon atom(s), and 6 Oxygen atom(s). A chemical formula of alpha-D-Mannose can therefore be written as:
C6H12O6
The chemical formula of alpha-D-Mannose shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
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Additional Information for Identifying Alpha-D-Mannose Molecule
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Structure Data File (SDF/MOL File) of alpha-D-Mannose
The structure data file (SDF/MOL File) of alpha-D-Mannose is available for download in the SDF page of alpha-D-Mannose providing the information about the atoms, bonds, connectivity and coordinates of alpha-D-Mannose, which is not completely available in the chemical formula representation. The alpha-D-Mannose structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of alpha-D-Mannose
The chemical structure image of alpha-D-Mannose is available in chemical structure page of alpha-D-Mannose, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of alpha-D-Mannose and the chemical bonds that hold the atoms together.
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Molecular weight of alpha-D-Mannose
The molecular weight of alpha-D-Mannose is available in molecular weight page of alpha-D-Mannose, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of alpha-D-Mannose.
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InChI (IUPAC International Chemical Identifier) information of alpha-D-Mannose
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of alpha-D-Mannose is:
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
It can provide a standard way to encode the molecular information of alpha-D-Mannose to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of alpha-D-Mannose is:
InChIKey=WQZGKKKJIJFFOK-PQMKYFCFSA-N
The InChIKey may allow easier web searches for alpha-D-Mannose, but it needs to be linked to the full InChI to get back to the original structure of the alpha-D-Mannose since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of alpha-D-Mannose
The alpha-D-Mannose compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of alpha-D-Mannose including the registry numbers is given below, if available:
- alpha-D-mannopyranose
- alpha-D-Man
- MAN
- alpha-D-Mannose
- 29696-75-1
- (2S,3S,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol
- (2S,3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
Alpha-D-Mannose Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of alpha-D-Mannose? |
|---|
| C6H12O6 |
| How many atoms and what are they in the alpha-D-Mannose structure? |
| 24 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), and 6 Oxygen atom(s) |
| How many chemical bonds and what are they in the alpha-D-Mannose structure? |
| 24 bond(s) - 12 non-H bond(s), 1 rotatable bond(s), 1 six-membered ring(s), 5 hydroxyl group(s), 1 primary alcohol(s), 3 secondary alcohol(s), and 1 ether(s) (aliphatic) |
| What’s the molecular weight of alpha-D-Mannose? |
| 180.15588 g/mol |
| What’s the SMILES string of alpha-D-Mannose? |
| OCC1OC(O)C(O)C(O)C1O |
| What’s the InChI of alpha-D-Mannose? |
| InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 |
| What’s the InChIKey of alpha-D-Mannose? |
| WQZGKKKJIJFFOK-PQMKYFCFSA-N |
1576
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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).