Structure & Deep Data of Diacetone L-sorbose (C12H20O6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Diacetone L-sorbose molecule contains a total of 40 bond(s). There are 20 non-H bond(s), 1 rotatable bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 1 nine-membered ring(s), 1 twelve-membered ring(s), 1 hydroxyl group(s), 1 primary alcohol(s), 5 ether(s) (aliphatic), and 1 Oxolane(s). Images of the chemical structure of Diacetone L-sorbose are given below:

The 2D chemical structure image of Diacetone L-sorbose is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Diacetone L-sorbose are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Diacetone L-sorbose is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Diacetone L-sorbose. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Diacetone L-sorbose Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Diacetone L-sorbose

  The SMILES string of Diacetone L-sorbose is CC3(C)OCC2OC1(CO)OC(C)(C)OC1C2O3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Diacetone L-sorbose.

• Structure Data File (SDF/MOL File) of Diacetone L-sorbose

  The structure data file (SDF/MOL File) of Diacetone L-sorbose is available for download in the SDF page of Diacetone L-sorbose, which provides the information about the atoms, bonds, connectivity and coordinates of Diacetone L-sorbose. The Diacetone L-sorbose structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Diacetone L-sorbose

  The molecular formula of Diacetone L-sorbose is available in chemical formula page of Diacetone L-sorbose, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Diacetone L-sorbose

  The molecular weight of Diacetone L-sorbose is available in molecular weight page of Diacetone L-sorbose, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Diacetone L-sorbose

  The Diacetone L-sorbose compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Diacetone L-sorbose including the various registry numbers, if available:

  • ((3aS,3bR,7aS,8aS)-2,2,5,5-Tetramethyltetrahydro-3aH-[1,3]dioxolo[4',5'
  • 2,3,4,6-Di-O-isopropylidene-|A inverted exclamation mark-L-sorbofuranose
  • 2,3:4,6-Di-O-isopropylidene-alpha-L-sorbofuranose, >=98% (TLC)
  • 2-O,3-O:4-O,6-O-Diisopropylidene-alpha-L-sorbofuranose
  • C-16235
  • 2,3:4,6-Di-O-isopropylidene-L-sorbofuranose
  • O501
  • 2,3:4,6-Di-O-isopropylidene-alpha-L-sorbofuranose
  • 2,3:4,6-Di-O-isopropylidene-a-L-sorbofuranose
  • alpha-L-Sorbofuranose, 2,3:4,6-bis-o-(1-methylethylidene)-

  • ((3aS,3bR,7aS,8aS)-2,2,5,5-Tetramethyltetrahydro-3aH-[1,3]dioxolo[4',5':4,5]furo[3,2-d][1,3]dioxin-8a-yl)methanol
  • 2,3,4,6-Di-O-Isopropylidene-alpha-L-sorbofuranose
  • Diacetone L-sorbose
  • 17682-70-1

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Diacetone L-sorbose Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Diacetone L-sorbose?
C12H20O6
How many atoms and what are the elements included the Diacetone L-sorbose molecule?
38 atom(s) - 20 Hydrogen atom(s), 12 Carbon atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Diacetone L-sorbose structure?
40 bond(s) - 20 non-H bond(s), 1 rotatable bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 1 nine-membered ring(s), 1 twelve-membered ring(s), 1 hydroxyl group(s), 1 primary alcohol(s), 5 ether(s) (aliphatic), and 1 Oxolane(s)
What’s the Diacetone L-sorbose’s molecular weight?
260.2836 g/mol
What’s the SMILES code of Diacetone L-sorbose?
CC3(C)OCC2OC1(CO)OC(C)(C)OC1C2O3
What’s the InChI string of Diacetone L-sorbose?
InChI=1S/C12H20O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3/t7-,8+,9-,12-/m0/s1
What’s the InChIKey code of Diacetone L-sorbose?
GQXSDDHYUVYJCQ-NHRVJRKFSA-N

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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).