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DBCO-PEG9-DBCO | 2353409-50-2
| Catelog Number | R01-0374 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₅₈H₇₀N₄O₁₃ |
| Molecular Weight | 1031.20 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0374 | -- | $-- |
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Product Introduction
DBCO-PEG9-DBCO is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG9-DBCO can be used in the synthesis of a series of PROTACs.
Chemical Information |
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| Synonyms | N,N'-bis(3-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)-4,7,10,13,16,19,22,25,28-nonaoxahentriacontanediamide |
| Purity | 98% |
| IUPAC Name | N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C58H70N4O13/c63-55(59-25-21-57(65)61-45-51-13-3-1-9-47(51)17-19-49-11-5-7-15-53(49)61)23-27-67-29-31-69-33-35-71-37-39-73-41-43-75-44-42-74-40-38-72-36-34-70-32-30-68-28-24-56(64)60-26-22-58(66)62-46-52-14-4-2-10-48(52)18-20-50-12-6-8-16-54(50)62/h1-16H,21-46H2,(H,59,63)(H,60,64) |
| InChI Key | KEUOUDHOMOVWEC-UHFFFAOYSA-N |
Product Specification |
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| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
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| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 36 |
| Exact Mass | 1030.49393830 g/mol |
| Monoisotopic Mass | 1030.49393830 g/mol |
| Topological Polar Surface Area | 182Ų |
| Heavy Atom Count | 75 |
| Formal Charge | 0 |
| Complexity | 1670 |
| 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 |
Applications of Fluorescent Probes & Dyes
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