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Azido-PEG16-t-Butyl ester
| Catelog Number | R14-0234 |
| Category | Azides |
| Molecular Formula | C39H77N3O18 |
| Molecular Weight | 876.04 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0234 | -- | $-- |
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Product Introduction
Azido-PEG16-t-butyl ester is a PEG linker containing an azide group and a tert-butyl ester. The azide group reacts with terminal alkynes and cyclooctyne derivatives via click chemistry. The carboxyl group is protected by the tert-butyl group.
Chemical Information |
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| Synonyms | Azido-PEG16-Boc; N3-PEG16-CH2CH2COOtBu; 2-Methyl-2-propanyl 1-azido-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48-hexadecaoxahenpentacontan-51-oate; 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48-Hexadecaoxahenpentacontan-51-oic acid, 1-azido-, 1,1-dimethylethyl ester; tert-butyl 1-azido-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48-hexadecaoxahenpentacontan-51-oate |
| Purity | >95% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C39H77N3O18/c1-39(2,3)60-38(43)4-6-44-8-10-46-12-14-48-16-18-50-20-22-52-24-26-54-28-30-56-32-34-58-36-37-59-35-33-57-31-29-55-27-25-53-23-21-51-19-17-49-15-13-47-11-9-45-7-5-41-42-40/h4-37H2,1-3H3 |
| InChI Key | XFMACWJWKFDASQ-UHFFFAOYSA-N |
| Solubility | Soluble in DMSO |
| Appearance | Transparent Liquid |
Product Specification |
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| Storage | Store at 2-8°C |
Computed Properties | |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 53 |
| Exact Mass | 875.52021262 g/mol |
| Monoisotopic Mass | 875.52021262 g/mol |
| Topological Polar Surface Area | 188Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 918 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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