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SDF/Mol File of D-Glucose,2,3,4,6-tetraacetate (C14H20O10)

Identification of D-Glucose,2,3,4,6-tetraacetate Chemical Compound

2D chemical structure image of D-Glucose,2,3,4,6-tetraacetate
Chemical Formula C14H20O10
Molecular Weight 348.3026 g/mol
IUPAC Name (2R,3R,4S,5R)-1,4,5-tris(acetyloxy)-2-hydroxy-6-oxohexan-3-yl acetate
SMILES String CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C=O
InChI InChI=1S/C14H20O10/c1-7(16)21-6-11(20)13(23-9(3)18)14(24-10(4)19)12(5-15)22-8(2)17/h5,11-14,20H,6H2,1-4H3/t11-,12+,13-,14-/m1/s1
InChIKey YOFGCSKEYMCZKK-XJFOESAGSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of D-Glucose,2,3,4,6-tetraacetate is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of D-Glucose,2,3,4,6-tetraacetate molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of D-Glucose,2,3,4,6-tetraacetate
Ball-and-stick model of D-Glucose,2,3,4,6-tetraacetate

chemical table area

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Additional Information for Identifying D-Glucose,2,3,4,6-tetraacetate Molecule

  • Chemical structure of D-Glucose,2,3,4,6-tetraacetate

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of D-Glucose,2,3,4,6-tetraacetate is available in chemical structure page of D-Glucose,2,3,4,6-tetraacetate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of D-Glucose,2,3,4,6-tetraacetate

    The molecular weight of D-Glucose,2,3,4,6-tetraacetate is available in molecular weight page of D-Glucose,2,3,4,6-tetraacetate, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of D-Glucose,2,3,4,6-tetraacetate

    The chemical formula of D-Glucose,2,3,4,6-tetraacetate is given in chemical formula page of D-Glucose,2,3,4,6-tetraacetate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of D-Glucose,2,3,4,6-tetraacetate

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of D-Glucose,2,3,4,6-tetraacetate is:

    InChI=1S/C14H20O10/c1-7(16)21-6-11(20)13(23-9(3)18)14(24-10(4)19)12(5-15)22-8(2)17/h5,11-14,20H,6H2,1-4H3/t11-,12+,13-,14-/m1/s1

    It can provide a standard way to encode the molecular information of D-Glucose,2,3,4,6-tetraacetate 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 D-Glucose,2,3,4,6-tetraacetate is:

    InChIKey=YOFGCSKEYMCZKK-XJFOESAGSA-N

    The InChIKey may allow easier web searches for D-Glucose,2,3,4,6-tetraacetate, but it needs to be linked to the full InChI to get back to the original structure of the D-Glucose,2,3,4,6-tetraacetate since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of D-Glucose,2,3,4,6-tetraacetate

    The D-Glucose,2,3,4,6-tetraacetate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of D-Glucose,2,3,4,6-tetraacetate including the registry numbers are listed below, if available:

    • [(2R,3R,4S,5R)-1,4,5-triacetyloxy-2-hydroxy-6-oxo-hexan-3-yl] ethanoate
    • acetic acid [(1R,2S,3R)-2,3-diacetoxy-1-[(1R)-2-acetoxy-1-hydroxy-ethyl]-4-keto-butyl] ester
    • acetic acid [(1R,2S,3R)-2,3-diacetoxy-1-[(1R)-2-acetoxy-1-hydroxyethyl]-4-oxobutyl] ester
    • [(1R,2S,3R)-2,3-diacetoxy-1-[(1R)-2-acetoxy-1-hydroxy-ethyl]-4-oxo-butyl] acetate

D-Glucose,2,3,4,6-tetraacetate Identification Summary Frequently Asked Questions (FAQs)

What’s the D-Glucose,2,3,4,6-tetraacetate formula?
C14H20O10
How many atoms and what elements are included in the D-Glucose,2,3,4,6-tetraacetate molecule?
44 atom(s) - 20 Hydrogen atom(s), 14 Carbon atom(s), and 10 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the D-Glucose,2,3,4,6-tetraacetate structure?
43 bond(s) - 23 non-H bond(s), 5 multiple bond(s), 13 rotatable bond(s), 5 double bond(s), 4 ester(s) (aliphatic), 1 aldehyde(s) (aliphatic), 1 hydroxyl group(s), and 1 secondary alcohol(s)
What’s the D-Glucose,2,3,4,6-tetraacetate’s molar mass?
348.3026 g/mol
What’s the SMILES structure of D-Glucose,2,3,4,6-tetraacetate?
CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C=O
What’s the InChI code of D-Glucose,2,3,4,6-tetraacetate?
InChI=1S/C14H20O10/c1-7(16)21-6-11(20)13(23-9(3)18)14(24-10(4)19)12(5-15)22-8(2)17/h5,11-14,20H,6H2,1-4H3/t11-,12+,13-,14-/m1/s1
What’s the InChIKey format of D-Glucose,2,3,4,6-tetraacetate?
YOFGCSKEYMCZKK-XJFOESAGSA-N

35 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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