SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Trityl-PEG8-azide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Trityl-PEG8-azide 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.
Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Trityl-PEG8-azide Molecule
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Chemical structure of Trityl-PEG8-azide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Trityl-PEG8-azide is available in chemical structure page of Trityl-PEG8-azide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Trityl-PEG8-azide
The chemical formula of Trityl-PEG8-azide is given 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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InChI (IUPAC International Chemical Identifier) information of Trityl-PEG8-azide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Trityl-PEG8-azide is:
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
It can provide a standard way to encode the molecular information of Trityl-PEG8-azide 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 Trityl-PEG8-azide is:
InChIKey=GMEFSMLZCBKWDL-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Trityl-PEG8-azide, but it needs to be linked to the full InChI to get back to the original structure of the Trityl-PEG8-azide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Trityl-PEG8-azide
The Trityl-PEG8-azide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Trityl-PEG8-azide including the registry numbers are listed below, if available:
- Trityl-PEG8-azide
Trityl-PEG8-azide Identification Summary Frequently Asked Questions (FAQs)
| What’s the Trityl-PEG8-azide formula? |
|---|
| C35H47N3O8 |
| How many atoms and what elements are included in 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 in 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 molar mass? |
| 637.76298 g/mol |
| What’s the SMILES structure of Trityl-PEG8-azide? |
| [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c2ccccc2)c3ccccc3 |
| What’s the InChI code 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 format 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).