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Diketone-PEG12-DBCO
Catalog Number | R01-0332 |
Category | Cycloalkyne Dyes (DBCO) |
Molecular Formula | C₅₈H₈₁N₃O₁₇ |
Molecular Weight | 1092.27 |
Catalog Number | Size | Price | Quantity |
---|---|---|---|
R01-0332 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Diketone-PEG12-DBCO is a polyethylene glycol (PEG)-based PROTAC linker. Diketone-PEG12-DBCO can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
Purity | 98% |
IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(3,5-dioxohexyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
Canonical SMILES | CC(=O)CC(=O)CCC1=CC=C(C=C1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
InChI | InChI=1S/C58H81N3O17/c1-48(62)46-54(63)17-12-49-10-15-53(16-11-49)60-57(65)20-22-67-24-26-69-28-30-71-32-34-73-36-38-75-40-42-77-44-45-78-43-41-76-39-37-74-35-33-72-31-29-70-27-25-68-23-21-59-56(64)18-19-58(66)61-47-52-8-3-2-6-50(52)13-14-51-7-4-5-9-55(51)61/h2-11,15-16H,12,17-47H2,1H3,(H,59,64)(H,60,65) |
InChIKey | HVYUYTQDCDUNKR-UHFFFAOYSA-N |
Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
XLogP3 | 0.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 17 |
Rotatable Bond Count | 48 |
Exact Mass | 1091.55659812 g/mol |
Monoisotopic Mass | 1091.55659812 g/mol |
Topological Polar Surface Area | 223Ų |
Heavy Atom Count | 78 |
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 |
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