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DSPE-PEG5-propargyl | CAS 2112737-93-4
| Catalog Number | R01-0111 |
| Category | Alkynes |
| Molecular Formula | C55H104NO14P |
| Molecular Weight | 1034.4 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DSPE-PEG8-propargyl is a PEG linker with attached DSPE and propargyl groups. The DSPE-PEGs have been FDA approved for medical applications. The hydrophobic properties of the DSPE allow for the encapsulation and congregation of other hydrophobic drugs. The hydrophilic PEG linker increases the water solubility of the overall compound allowing for the delivery of the drug. The hydrophilic PEG linker increases the water solubility of the compound. The propargyl group can react with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield a stable triazole linkage.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | [(2R)-3-[hydroxy-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCC#C)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C55H104NO14P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-54(58)67-50-52(70-55(59)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2)51-69-71(60,61)68-41-38-56-53(57)37-40-63-43-45-65-47-49-66-48-46-64-44-42-62-39-6-3/h3,52H,4-5,7-51H2,1-2H3,(H,56,57)(H,60,61)/t52-/m1/s1 |
| InChIKey | TWBDHVREIJJEGS-OIVUAWODSA-N |
| Storage | -20 °C |
| XLogP3 | 14.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 60 |
| Exact Mass | 1033.71944399 g/mol |
| Monoisotopic Mass | 1033.71944399 g/mol |
| Topological Polar Surface Area | 184Ų |
| Heavy Atom Count | 71 |
| Formal Charge | 0 |
| Complexity | 1280 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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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