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SDF/Mol File of L-Gluconic acid (C6H12O7)

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2D chemical structure image of L-Gluconic acid
Chemical Formula C6H12O7
Molecular Weight 196.15528 g/mol
IUPAC Name (2S,3R,4S,5S)-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-/m0/s1
InChIKey RGHNJXZEOKUKBD-KLVWXMOXSA-N
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Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of L-Gluconic acid 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 L-Gluconic acid 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 L-Gluconic acid
Ball-and-stick model of L-Gluconic acid

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying L-Gluconic acid Molecule

  • Chemical structure of L-Gluconic acid

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of L-Gluconic acid is available in chemical structure page of L-Gluconic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of L-Gluconic acid

    The molecular weight of L-Gluconic acid is available in molecular weight page of L-Gluconic acid, 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 L-Gluconic acid

    The chemical formula of L-Gluconic acid is given in chemical formula page of L-Gluconic acid, 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 L-Gluconic acid

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of L-Gluconic acid is:

    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-/m0/s1

    It can provide a standard way to encode the molecular information of L-Gluconic acid 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 L-Gluconic acid is:

    InChIKey=RGHNJXZEOKUKBD-KLVWXMOXSA-N

    The InChIKey may allow easier web searches for L-Gluconic acid, but it needs to be linked to the full InChI to get back to the original structure of the L-Gluconic acid since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of L-Gluconic acid

    The L-Gluconic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of L-Gluconic acid including the registry numbers are listed below, if available:

    • L-Gluconic acid

L-Gluconic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the L-Gluconic acid formula?
C6H12O7
How many atoms and what elements are included in the L-Gluconic 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 in the L-Gluconic 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 L-Gluconic acid’s molar mass?
196.15528 g/mol
What’s the SMILES structure of L-Gluconic acid?
OCC(O)C(O)C(O)C(O)C(O)=O
What’s the InChI code of L-Gluconic 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-/m0/s1
What’s the InChIKey format of L-Gluconic acid?
RGHNJXZEOKUKBD-KLVWXMOXSA-N