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TCO-PEG8-acid | CAS 2353410-03-2
| Catalog Number | R15-0033 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C₂₈H₅₁NO₁₂ |
| Molecular Weight | 593.70 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG8-acid is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG8-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 1-(Cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14,17,20,23,26-octaoxa-2-azanonacosan-29-oic acid; 1-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid |
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C28H51NO12/c30-27(31)8-10-33-12-14-35-16-18-37-20-22-39-24-25-40-23-21-38-19-17-36-15-13-34-11-9-29-28(32)41-26-6-4-2-1-3-5-7-26/h1-2,26H,3-25H2,(H,29,32)(H,30,31)/b2-1- |
| InChIKey | LIPCJNZAKQKTRV-UPHRSURJSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 29 |
| Exact Mass | 593.34112606 g/mol |
| Monoisotopic Mass | 593.34112606 g/mol |
| Topological Polar Surface Area | 150Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 637 |
| 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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