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DBCO-PEG9-NH-Boc
| Catalog Number | R01-0353 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₄₄H₆₅N₃O₁₃ |
| Molecular Weight | 844.00 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG9-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG9-NH-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C44H65N3O13/c1-44(2,3)60-43(50)46-17-19-52-21-23-54-25-27-56-29-31-58-33-35-59-34-32-57-30-28-55-26-24-53-22-20-51-18-16-45-41(48)14-15-42(49)47-36-39-10-5-4-8-37(39)12-13-38-9-6-7-11-40(38)47/h4-11H,14-36H2,1-3H3,(H,45,48)(H,46,50) |
| InChIKey | QMJGMMIRBYHKOK-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 35 |
| Exact Mass | 843.45173914 g/mol |
| Monoisotopic Mass | 843.45173914 g/mol |
| Topological Polar Surface Area | 171Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1220 |
| 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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