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TCO-PEG12-acid
| Catalog Number | R15-0030 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C₃₆H₆₇NO₁₆ |
| Molecular Weight | 769.91 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG12-acid is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG12-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C36H67NO16/c38-35(39)8-10-41-12-14-43-16-18-45-20-22-47-24-26-49-28-30-51-32-33-52-31-29-50-27-25-48-23-21-46-19-17-44-15-13-42-11-9-37-36(40)53-34-6-4-2-1-3-5-7-34/h1-2,34H,3-33H2,(H,37,40)(H,38,39)/b2-1- |
| InChIKey | FVJWPXWJNGHBBI-UPHRSURJSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 41 |
| Exact Mass | 769.44598505 g/mol |
| Monoisotopic Mass | 769.44598505 g/mol |
| Topological Polar Surface Area | 186Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 824 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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