Content on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound. Discover CC-DPS
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The CL4 molecule contains a total of 56 bond(s). There are 37 non-H bond(s), 20 multiple bond(s), 6 rotatable bond(s), 4 double bond(s), 16 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 secondary amide(s) (aromatic), 1 primary amine(s) (aromatic), 1 nitro group(s) (aromatic), 2 hydroxyl group(s), 2 aromatic hydroxyl(s), 2 secondary alcohol(s), 1 ether(s) (aliphatic), 1 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s). Images of the chemical structure of CL4 are given below:
The 2D chemical structure image of CL4 is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of CL4 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 CL4 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 CL4. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of CL4 is provided here.
The CL4 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 CL4 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 CL4 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 an image file.
Search Another Chemical Structure
Enter another compound to search for chemical structure:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying CL4 Molecule
-
SMILES (Simplified Molecular-Input Line-Entry System) string of CL4
The SMILES string of CL4 is Nc1ncnc2n(cnc12)C4OC(C=CCNC(=O)c3cc(cc(O)c3O)[N+]([O-])=O)C(O)C4O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the CL4.
-
Structure Data File (SDF/MOL File) of CL4
The structure data file (SDF/MOL File) of CL4 is available for download in the SDF page of CL4, which provides the information about the atoms, bonds, connectivity and coordinates of CL4. The CL4 structure data file can be imported to most of the cheminformatics software systems and applications.
-
Chemical formula of CL4
The molecular formula of CL4 is available in chemical formula page of CL4, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
Molecular weight of CL4
The molecular weight of CL4 is available in molecular weight page of CL4, 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 CL4
The CL4 compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of CL4 including the various registry numbers, if available:
- N-[(E)-3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitrobenzamide
- BDBM84475
- Bi-substrate Inhibitor, 1a
- N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE
- CL4
CL4 Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of CL4? |
|---|
| C19H19N7O8 |
| How many atoms and what are the elements included the CL4 molecule? |
| 53 atom(s) - 19 Hydrogen atom(s), 19 Carbon atom(s), 7 Nitrogen atom(s), and 8 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the CL4 structure? |
| 56 bond(s) - 37 non-H bond(s), 20 multiple bond(s), 6 rotatable bond(s), 4 double bond(s), 16 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 secondary amide(s) (aromatic), 1 primary amine(s) (aromatic), 1 nitro group(s) (aromatic), 2 hydroxyl group(s), 2 aromatic hydroxyl(s), 2 secondary alcohol(s), 1 ether(s) (aliphatic), 1 Oxolane(s), 1 Imidazole(s), and 1 Pyrimidine(s) |
| What’s the CL4’s molecular weight? |
| 473.39626 g/mol |
| What’s the SMILES code of CL4? |
| Nc1ncnc2n(cnc12)C4OC(C=CCNC(=O)c3cc(cc(O)c3O)[N+]([O-])=O)C(O)C4O |
| What’s the InChI string of CL4? |
| InChI=1S/C19H19N7O8/c20-16-12-17(23-6-22-16)25(7-24-12)19-15(30)14(29)11(34-19)2-1-3-21-18(31)9-4-8(26(32)33)5-10(27)13(9)28/h1-2,4-7,11,14-15,19,27-30H,3H2,(H,21,31)(H2,20,22,23)/b2-1+/t11-,14-,15-,19-/m1/s1 |
| What’s the InChIKey code of CL4? |
| UHHBFOLQOQSPLU-WGRQDFERSA-N |
