Formula of Levan n (C18H32O16)
Identification of Levan n Chemical Compound
| Chemical Formula | C18H32O16 |
|---|---|
| Molecular Weight | 504.43708 g/mol |
| IUPAC Name | (2R,3S,4S,5R)-5-({[(2R,3S,4S,5R)-5-({[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-2-(hydroxymethyl)oxolane-2,3,4-triol |
| SMILES String | OCC3OC(CO)(OCC2OC(CO)(OCC1OC(O)(CO)C(O)C1O)C(O)C2O)C(O)C3O |
| InChI | InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1 |
| InChIKey | ZFTFOHBYVDOAMH-XNOIKFDKSA-N |
Chemical Formula Description
The levan n molecule contains a total of 66 atom(s). There are 32 Hydrogen atom(s), 18 Carbon atom(s), and 16 Oxygen atom(s). A chemical formula of levan n can therefore be written as:
C18H32O16
The chemical formula of levan n 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 Levan n Molecule
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Structure Data File (SDF/MOL File) of levan n
The structure data file (SDF/MOL File) of levan n is available for download in the SDF page of levan n providing the information about the atoms, bonds, connectivity and coordinates of levan n, which is not completely available in the chemical formula representation. The levan n structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of levan n
The chemical structure image of levan n is available in chemical structure page of levan n, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of levan n and the chemical bonds that hold the atoms together.
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Molecular weight of levan n
The molecular weight of levan n is available in molecular weight page of levan n, 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 levan n.
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InChI (IUPAC International Chemical Identifier) information of levan n
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of levan n is:
InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1
It can provide a standard way to encode the molecular information of levan n 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 levan n is:
InChIKey=ZFTFOHBYVDOAMH-XNOIKFDKSA-N
The InChIKey may allow easier web searches for levan n, but it needs to be linked to the full InChI to get back to the original structure of the levan n since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of levan n
The levan n compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of levan n including the registry numbers is given below, if available:
- WURCS=1.0/3,2/[h1122h|2,5][h1122h|2,5][h1122h|2,5|2*O]1+2,2+6|2+2,3+6
- 0UB
- (2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-triol
- Beta-D-Fructofuranosyl-(2->6)-Beta-D-Fructofuranosyl-(2->6)-Beta-D-Fructofuranose
- (2->6)-beta-D-fructofuranan
- (2->6)-beta-D-fructan
- beta-D-Fructan
- (2,6-beta-D-Fructosyl)n+1
- (2,6-beta-D-Fructosyl)n
- LEVAN
- levan n
- beta-D-Levan
- fructans
- 9013-95-0
Levan n Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of levan n? |
|---|
| C18H32O16 |
| How many atoms and what are they in the levan n structure? |
| 66 atom(s) - 32 Hydrogen atom(s), 18 Carbon atom(s), and 16 Oxygen atom(s) |
| How many chemical bonds and what are they in the levan n structure? |
| 68 bond(s) - 36 non-H bond(s), 10 rotatable bond(s), 3 five-membered ring(s), 11 hydroxyl group(s), 4 primary alcohol(s), 6 secondary alcohol(s), 5 ether(s) (aliphatic), and 3 Oxolane(s) |
| What’s the molecular weight of levan n? |
| 504.43708 g/mol |
| What’s the SMILES string of levan n? |
| OCC3OC(CO)(OCC2OC(CO)(OCC1OC(O)(CO)C(O)C1O)C(O)C2O)C(O)C3O |
| What’s the InChI of levan n? |
| InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1 |
| What’s the InChIKey of levan n? |
| ZFTFOHBYVDOAMH-XNOIKFDKSA-N |
437
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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).