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N-(Azido-PEG3)-N-bis(PEG4-acid) | CAS 2112731-54-9
| Catalog Number | R14-0069 |
| Category | Azides |
| Molecular Formula | C₃₀H₅₈N₄O₁₅ |
| Molecular Weight | 714.80 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0069 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Azido-PEG3)-N-bis(PEG4-acid) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-bis(PEG4-acid) can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 16-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioic acid |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C(COCCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)O)C(=O)O |
| InChI | InChI=1S/C30H58N4O15/c31-33-32-3-9-41-15-21-47-22-16-42-10-4-34(5-11-43-17-23-48-27-25-45-19-13-39-7-1-29(35)36)6-12-44-18-24-49-28-26-46-20-14-40-8-2-30(37)38/h1-28H2,(H,35,36)(H,37,38) |
| InChIKey | FXPSMOCUUZDFRW-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 42 |
| Exact Mass | 714.38986716 g/mol |
| Monoisotopic Mass | 714.38986716 g/mol |
| Topological Polar Surface Area | 194Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 740 |
| 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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