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Propargyl-PEG14-t-butyl ester | CAS 2055104-86-2
| Catalog Number | R01-0167 |
| Category | Alkynes |
| Molecular Formula | C36H68O16 |
| Molecular Weight | 756.9 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG14-t-butyl ester consists of a propargyl group and a t-butyl protected carboxyl group. The propargyl group can be used in copper catalyzed Click Chemistry to yield a stable triazole linkage with azides. The t-butyl group can be hydrolyzed in acidic conditions. The hydrophilic PEG units help the molecule to have better solubility in aqueous environment.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Propargyl-PEG14-Boc; PROPARGYL-PEG14-T-BUTYLESTER; tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Purity | 98% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C36H68O16/c1-5-7-38-9-11-40-13-15-42-17-19-44-21-23-46-25-27-48-29-31-50-33-34-51-32-30-49-28-26-47-24-22-45-20-18-43-16-14-41-12-10-39-8-6-35(37)52-36(2,3)4/h1H,6-34H2,2-4H3 |
| InChIKey | ZARGKRMZKKFQJH-UHFFFAOYSA-N |
| Solubility | DMSO, DMF, DCM |
| Storage | -20 °C |
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 45 |
| Exact Mass | 756.45073608 g/mol |
| Monoisotopic Mass | 756.45073608 g/mol |
| Topological Polar Surface Area | 156Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 773 |
| 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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