SDF/Mol File of Gluconolactone (C6H10O6)

Structure Data File (SDF/MOL File) Description

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chemical table area

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Additional Information for Identifying Gluconolactone Molecule

• Chemical structure of gluconolactone

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

• Molecular weight of gluconolactone

  The molecular weight of gluconolactone is available in molecular weight page of gluconolactone, 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 gluconolactone

  The chemical formula of gluconolactone is given in chemical formula page of gluconolactone, 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 gluconolactone

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of gluconolactone is:

  InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1

  It can provide a standard way to encode the molecular information of gluconolactone 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 gluconolactone is:

  InChIKey=PHOQVHQSTUBQQK-SQOUGZDYSA-N

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

• Other names (synonyms) or registry numbers of gluconolactone

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

  • Glucarolactone
  • (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one
  • Gluconolactone (USP)
  • D04332
  • delta-D-Gluconolactone
  • beta-Glucono-1,5-lactone
  • Glucono delta-lactone
  • Glucono delta lactone
  • Gluconic delta-lactone
  • Gluconic acid, delta-lactone, D-

  • Gluconic acid lactone (6CI)
  • Deltagluconolactone
  • D-delta-Gluconolactone
  • D-Gluconic delta-lactone
  • D-Gluconic acid-delta-lactone
  • D-Gluconic acid, delta-lactone
  • D-Gluconic acid lactone
  • D-Gluconic acid delta-lactone
  • 1,5-D-Gluconolactone
  • D-()-Gluconic acid delta-lactone

  • D-()-Dextronic acid delta-lactone
  • 1,2,3,4,5-Pentahydroxycaproic acid delta-lactone
  • LGC
  • (3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE
  • 71033-49-3
  • 4253-68-3
  • 1335-57-5
  • (3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-one
  • (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranone
  • (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one

  • D-threo-Aldono-1,5-lactone
  • D-Aldonolactone
  • Gluconolactone

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Gluconolactone Identification Summary Frequently Asked Questions (FAQs)

What’s the gluconolactone formula?
C6H10O6
How many atoms and what elements are included in the gluconolactone molecule?
22 atom(s) - 10 Hydrogen atom(s), 6 Carbon atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the gluconolactone structure?
22 bond(s) - 12 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 4 hydroxyl group(s), 1 primary alcohol(s), and 3 secondary alcohol(s)
What’s the gluconolactone’s molar mass?
178.14 g/mol
What’s the SMILES structure of gluconolactone?
OCC1OC(=O)C(O)C(O)C1O
What’s the InChI code of gluconolactone?
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
What’s the InChIKey format of gluconolactone?
PHOQVHQSTUBQQK-SQOUGZDYSA-N

222 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).