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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 |
Catalog Number | Size | Price | Quantity |
---|---|---|---|
R01-0404 | -- | -- |
* 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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