Formula of Aldohexose (C6H12O6)
Identification of Aldohexose Chemical Compound
Chemical Formula | C6H12O6 |
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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 Formula Description
The Aldohexose 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 Aldohexose can therefore be written as:
C6H12O6
The chemical formula of Aldohexose 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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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Aldohexose Molecule
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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 providing the information about the atoms, bonds, connectivity and coordinates of Aldohexose, which is not completely available in the chemical formula representation. The Aldohexose structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Aldohexose
The chemical structure image of Aldohexose is available in chemical structure page of Aldohexose, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Aldohexose and the chemical bonds that hold the atoms together.
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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 specified in the chemical formula of Aldohexose.
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InChI (IUPAC International Chemical Identifier) information of Aldohexose
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Aldohexose is:
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
It can provide a standard way to encode the molecular information of Aldohexose 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 Aldohexose is:
InChIKey=GZCGUPFRVQAUEE-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Aldohexose, but it needs to be linked to the full InChI to get back to the original structure of the Aldohexose since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Aldohexose
The Aldohexose compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Aldohexose including the registry numbers is given below, 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? |
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C6H12O6 |
How many atoms and what are they in the Aldohexose 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 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 molecular weight of Aldohexose? |
180.15588 g/mol |
What’s the SMILES string of Aldohexose? |
OCC(O)C(O)C(O)C(O)C=O |
What’s the InChI 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 of Aldohexose? |
GZCGUPFRVQAUEE-UHFFFAOYSA-N |
3878
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).