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DBCO-NHCO-PEG13-acid
| Catelog Number | R01-0410 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₄₈H₇₂N₂O₁₇ |
| Molecular Weight | 949.09 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0410 | -- | $-- |
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Product Introduction
DBCO-NHCO-PEG13-acid is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-NHCO-PEG13-acid can be used in the synthesis of a series of PROTACs.
Chemical Information |
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|---|---|
| Synonyms | DBCO-NH-PEG12-acid; DBCO-NH-PEG12-CH2CH2COOH |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C48H72N2O17/c51-46(49-14-11-47(52)50-41-44-7-2-1-5-42(44)9-10-43-6-3-4-8-45(43)50)12-15-55-17-19-57-21-23-59-25-27-61-29-31-63-33-35-65-37-39-67-40-38-66-36-34-64-32-30-62-28-26-60-24-22-58-20-18-56-16-13-48(53)54/h1-8H,11-41H2,(H,49,51)(H,53,54) |
| InChI Key | XFJHXMXTEHCPAB-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
Product Specification |
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| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 45 |
| Exact Mass | 948.48309883 g/mol |
| Monoisotopic Mass | 948.48309883 g/mol |
| Topological Polar Surface Area | 207Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1300 |
| 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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