Structure & Deep Data of D-Erythrulose (C4H8O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The D-Erythrulose molecule contains a total of 15 bond(s). There are 7 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 1 ketone(s) (aliphatic), 3 hydroxyl group(s), 2 primary alcohol(s), and 1 secondary alcohol(s). Images of the chemical structure of D-Erythrulose are given below:

The 2D chemical structure image of D-Erythrulose is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of D-Erythrulose 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 D-Erythrulose 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 D-Erythrulose. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying D-Erythrulose Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of D-Erythrulose

  The SMILES string of D-Erythrulose is OCC(O)C(=O)CO, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the D-Erythrulose.

• Structure Data File (SDF/MOL File) of D-Erythrulose

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

• Chemical formula of D-Erythrulose

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

• Molecular weight of D-Erythrulose

  The molecular weight of D-Erythrulose is available in molecular weight page of D-Erythrulose, 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 D-Erythrulose

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

  • D-(-)-Erythrulose solution, 1 M in water, >=85.0% (HPLC)
  • 40031-31-0
  • 2-Butanone, 1,3,4-trihydroxy-, (3R)-
  • Glycerotetrulose
  • D-Glycero-2-tetrulose
  • Erythrulose, (-)-
  • Erythrulose, D-
  • D-Threulose
  • 09058VOU0Z
  • (R)-1,3,4-Trihydroxybutan-2-one

  • 496-55-9
  • D-glycero-Tetrulose
  • D-Erythrulose

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D-Erythrulose Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of D-Erythrulose?
C4H8O4
How many atoms and what are the elements included the D-Erythrulose molecule?
16 atom(s) - 8 Hydrogen atom(s), 4 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the D-Erythrulose structure?
15 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 1 ketone(s) (aliphatic), 3 hydroxyl group(s), 2 primary alcohol(s), and 1 secondary alcohol(s)
What’s the D-Erythrulose’s molecular weight?
120.10392 g/mol
What’s the SMILES code of D-Erythrulose?
OCC(O)C(=O)CO
What’s the InChI string of D-Erythrulose?
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m1/s1
What’s the InChIKey code of D-Erythrulose?
UQPHVQVXLPRNCX-GSVOUGTGSA-N

3277 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).