Download Structure Data File(SDF/Mol File) of D-Isoleucine (C6H13NO2)
Identification of D-Isoleucine Chemical Compound
|Molecular Weight||131.17292 g/mol|
|IUPAC Name||(2R,3R)-2-amino-3-methylpentanoic acid|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of D-Isoleucine is available for download. Click the link below to start downloading.
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of D-Isoleucine 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.
Additional Information for Identifying D-Isoleucine Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of D-Isoleucine is available in chemical structure page of D-Isoleucine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
The molecular weight of D-Isoleucine is available in molecular weight page of D-Isoleucine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
The chemical formula of D-Isoleucine is given 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.
InChI (IUPAC International Chemical Identifier) information of D-Isoleucine
An alternative way of expressing structural information in text format is InChI. The full standard InChI of D-Isoleucine is:
It can provide a standard way to encode the molecular information of D-Isoleucine 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 D-Isoleucine is:
The InChIKey may allow easier web searches for D-Isoleucine, but it needs to be linked to the full InChI to get back to the original structure of the D-Isoleucine since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of D-Isoleucine
The D-Isoleucine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of D-Isoleucine including the registry numbers are listed below, if available:
- (2R,3R)-2-amino-3-methylpentanoic acid
- (2R,3R)-2-Amino-3-methylvaleric acid
- Alloisoleucine, D-
- D-Isoleucine, >=98% (TLC)
- DL-Isoleucine, 99%, FCC, FG
- DL-Isoleucine, cell culture tested
- DL-Isoleucine, ReagentPlus(R), 99%
- (R)-2-Amino-(S)-3-methylvaleric acid
- (2R, 3R)-2-Amino-3-methylpentanoic acid
- DL-Isoleucine, Vetec(TM) reagent grade, 98%
D-Isoleucine Identification Summary Frequently Asked Questions (FAQs)
What’s the D-Isoleucine formula?C6H13NO2
How many atoms and what elements are included in 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 in 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 molar mass?131.17292 g/mol
What’s the SMILES structure of D-Isoleucine?CCC(C)C(N)C(O)=O
What’s the InChI code 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 format of D-Isoleucine?AGPKZVBTJJNPAG-RFZPGFLSSA-N