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DBCO-PEG6-amine | CAS 2353409-98-8
| Catalog Number | R01-0404 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₃H₄₅N₃O₈ |
| Molecular Weight | 611.73 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG6-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG6-amine can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | DBCO-PEG6-amine TFA salt |
| Purity | 98% |
| IUPAC Name | N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCN |
| InChI | InChI=1S/C33H45N3O8/c34-13-15-39-17-19-41-21-23-43-25-26-44-24-22-42-20-18-40-16-14-35-32(37)11-12-33(38)36-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)36/h1-8H,11-27,34H2,(H,35,37) |
| InChIKey | SHIACZLTEDAJEG-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 23 |
| Exact Mass | 611.32066540 g/mol |
| Monoisotopic Mass | 611.32066540 g/mol |
| Topological Polar Surface Area | 131Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 863 |
| 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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