Structure & Deep Data of Trityl-PEG8-azide (C35H47N3O8)
Identification of Trityl-PEG8-azide Chemical Compound
| Chemical Formula | C35H47N3O8 |
|---|---|
| Molecular Weight | 637.76298 g/mol |
| IUPAC Name | 25-azido-1,1,1-triphenyl-2,5,8,11,14,17,20,23-octaoxapentacosane |
| SMILES String | [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c2ccccc2)c3ccccc3 |
| InChI | InChI=1S/C35H47N3O8/c36-38-37-16-17-39-18-19-40-20-21-41-22-23-42-24-25-43-26-27-44-28-29-45-30-31-46-35(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-15H,16-31H2 |
| InChIKey | GMEFSMLZCBKWDL-UHFFFAOYSA-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 Trityl-PEG8-azide molecule contains a total of 95 bond(s). There are 48 non-H bond(s), 20 multiple bond(s), 28 rotatable bond(s), 2 double bond(s), 18 aromatic bond(s), 3 six-membered ring(s), 1 positively charged N, and 8 ether(s) (aliphatic). Images of the chemical structure of Trityl-PEG8-azide are given below:
The 2D chemical structure image of Trityl-PEG8-azide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Trityl-PEG8-azide 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 Trityl-PEG8-azide 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 Trityl-PEG8-azide. 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 Trityl-PEG8-azide is provided here.
The Trityl-PEG8-azide 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 Trityl-PEG8-azide 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 Trityl-PEG8-azide 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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Trityl-PEG8-azide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Trityl-PEG8-azide
The SMILES string of Trityl-PEG8-azide is [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c2ccccc2)c3ccccc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Trityl-PEG8-azide.
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Structure Data File (SDF/MOL File) of Trityl-PEG8-azide
The structure data file (SDF/MOL File) of Trityl-PEG8-azide is available for download in the SDF page of Trityl-PEG8-azide, which provides the information about the atoms, bonds, connectivity and coordinates of Trityl-PEG8-azide. The Trityl-PEG8-azide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Trityl-PEG8-azide
The molecular formula of Trityl-PEG8-azide is available in chemical formula page of Trityl-PEG8-azide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Trityl-PEG8-azide
The molecular weight of Trityl-PEG8-azide is available in molecular weight page of Trityl-PEG8-azide, 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.
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Other names (synonyms) or registry numbers of Trityl-PEG8-azide
The Trityl-PEG8-azide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Trityl-PEG8-azide including the various registry numbers, if available:
- Trityl-PEG8-azide
Trityl-PEG8-azide Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Trityl-PEG8-azide? |
|---|
| C35H47N3O8 |
| How many atoms and what are the elements included the Trityl-PEG8-azide molecule? |
| 93 atom(s) - 47 Hydrogen atom(s), 35 Carbon atom(s), 3 Nitrogen atom(s), and 8 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Trityl-PEG8-azide structure? |
| 95 bond(s) - 48 non-H bond(s), 20 multiple bond(s), 28 rotatable bond(s), 2 double bond(s), 18 aromatic bond(s), 3 six-membered ring(s), 1 positively charged N, and 8 ether(s) (aliphatic) |
| What’s the Trityl-PEG8-azide’s molecular weight? |
| 637.76298 g/mol |
| What’s the SMILES code of Trityl-PEG8-azide? |
| [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c2ccccc2)c3ccccc3 |
| What’s the InChI string of Trityl-PEG8-azide? |
| InChI=1S/C35H47N3O8/c36-38-37-16-17-39-18-19-40-20-21-41-22-23-42-24-25-43-26-27-44-28-29-45-30-31-46-35(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-15H,16-31H2 |
| What’s the InChIKey code of Trityl-PEG8-azide? |
| GMEFSMLZCBKWDL-UHFFFAOYSA-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).