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DSPE-PEG5-azide | CAS 2112737-73-0
| Catalog Number | R14-0011 |
| Category | Azides |
| Molecular Formula | C₅₄H₁₀₅N₄O₁₄P |
| Molecular Weight | 1065.40 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DSPE-PEG5-azide is a polyethylene glycol (PEG)-based PROTAC linker. DSPE-PEG5-azide can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Octadecanoic acid, (2R)-27-azido-5-hydroxy-5-oxido-10-oxo-2-[(1-oxooctadecyl)oxy]-4,6,13,16,19,22,25-heptaoxa-9-aza-5-phosphaheptacos-1-yl ester |
| Purity | 98% |
| IUPAC Name | [(2R)-3-[2-[3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C54H105N4O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(60)69-49-51(72-54(61)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50-71-73(62,63)70-40-36-56-52(59)35-38-64-41-43-66-45-47-68-48-46-67-44-42-65-39-37-57-58-55/h51H,3-50H2,1-2H3,(H,56,59)(H,62,63)/t51-/m1/s1 |
| InChIKey | GMYJRHJQIGPSEN-NLXJDERGSA-N |
| Solubility | DCM |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 15.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 62 |
| Exact Mass | 1064.73649103 g/mol |
| Monoisotopic Mass | 1064.73649103 g/mol |
| Topological Polar Surface Area | 198Ų |
| Heavy Atom Count | 73 |
| Formal Charge | 0 |
| Complexity | 1330 |
| 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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