Home Structure D-Isoleucine

Structure of D-Isoleucine (C6H13NO2)

Identification of D-Isoleucine Chemical Compound

2D chemical structure image of D-Isoleucine
Chemical Formula C6H13NO2
Molecular Weight 131.17292 g/mol
IUPAC Name (2R,3R)-2-amino-3-methylpentanoic acid
SMILES String CCC(C)C(N)C(O)=O
InChI InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
InChIKey AGPKZVBTJJNPAG-RFZPGFLSSA-N

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-Isoleucine molecule contains a total of 21 bond(s). There are 8 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amine(s) (aliphatic) and 1 hydroxyl group(s).
Images of the chemical structure of D-Isoleucine are given below:

2D chemical structure image of D-Isoleucine
2-dimensional (2D) chemical structure image of D-Isoleucine
3D chemical structure image of D-Isoleucine
3-dimensional (3D) chemical structure image of D-Isoleucine

The 2D chemical structure image of D-Isoleucine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of D-Isoleucine 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-Isoleucine 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-Isoleucine.


An Interactive 3-dimensional (3D) Visualization of D-Isoleucine

For a better understanding of the chemical structure, an interactive 3D visualization of D-Isoleucine is provided here.

The D-Isoleucine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the D-Isoleucine molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of D-Isoleucine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.


Additional Information for Identifying D-Isoleucine Molecule

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

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

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

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

  • Chemical formula of D-Isoleucine

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

  • Molecular weight of D-Isoleucine

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

    The D-Isoleucine 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-Isoleucine including the various registry numbers, if available:

    • D-Isoleucine
    • 319-78-8
    • (2R,3R)-2-amino-3-methylpentanoic acid
    • H-D-Ile-OH
    • V87GJA0G54
    • (R)-Isoleucine
    • MFCD00064221
    • (2R,3R)-2-Amino-3-methylvaleric acid
    • Alloisoleucine, D-
    • 443-79-8
    • AmbotzHAA1186
    • H-D-lle-OH
    • RAC-D-ISOLEUCINE
    • Jsp005936
    • D-Isoleucine, >=98% (TLC)
    • DL-Isoleucine, 99%, FCC, FG
    • DL-Isoleucine, cell culture tested
    • ANW-27238
    • DL-Isoleucine, ReagentPlus(R), 99%
    • RTR-013498
    • (R)-2-Amino-(S)-3-methylvaleric acid
    • (2R, 3R)-2-Amino-3-methylpentanoic acid
    • I0179
    • DL-Isoleucine, Vetec(TM) reagent grade, 98%
    • K-7488
    • M03125
    • 6B147F4F-BD4E-4FC3-9B73-D1EC1622E02D
    • DIL
    • AR-1I6659
    • C-01351

D-Isoleucine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of D-Isoleucine?
C6H13NO2
How many atoms and what are the elements included the D-Isoleucine molecule?
22 atom(s) - 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s) and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the D-Isoleucine structure?
21 bond(s) - 8 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amine(s) (aliphatic) and 1 hydroxyl group(s)
What’s the D-Isoleucine’s molecular weight?
131.17292 g/mol
What’s the SMILES code of D-Isoleucine?
CCC(C)C(N)C(O)=O
What’s the InChI string of D-Isoleucine?
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
What’s the InChIKey code of D-Isoleucine?
AGPKZVBTJJNPAG-RFZPGFLSSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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