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m-PEG12-DBCO
| Catalog Number | R01-0363 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₄₄H₆₆N₂O₁₄ |
| Molecular Weight | 847.00 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
m-PEG12-DBCO is a polyethylene glycol (PEG)-based PROTAC linker. m-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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| Canonical SMILES | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C44H66N2O14/c1-49-16-17-51-20-21-53-24-25-55-28-29-57-32-33-59-36-37-60-35-34-58-31-30-56-27-26-54-23-22-52-19-18-50-15-14-45-43(47)12-13-44(48)46-38-41-8-3-2-6-39(41)10-11-40-7-4-5-9-42(40)46/h2-9H,12-38H2,1H3,(H,45,47) |
| InChIKey | XOSOJWKHYZQWGG-UHFFFAOYSA-N |
| Solubility | In DMSO: 250 mg/mL (295.16 mM; Need ultrasonic) |
| Storage | -20°C, stored under nitrogen, away from moisture; In solvent, -80°C, 6 months; -20°C, 1 month (stored under nitrogen, away from moisture) |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 39 |
| Exact Mass | 846.45140478 g/mol |
| Monoisotopic Mass | 846.45140478 g/mol |
| Topological Polar Surface Area | 160Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1120 |
| 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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