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TCO-PEG12-NHS ester | CAS 2185016-39-9
| Catalog Number | R15-0042 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C40H70N2O18 |
| Molecular Weight | 866.99 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG12-NHS ester is a long-chain linker for bioorthogonal ADC synthesis. It features a TCO moiety for click chemistry and an NHS ester for efficient amine coupling, providing optimal spacing and solubility.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2,5-Dioxopyrrolidin-1-yl (E)-1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14,17,20,23,26,29,32,35,38-dodecaoxa-2-azahentetracontan-41-oate |
| Purity | >98.0% |
| Shelf Life | ≥ 2 years |
| IUPAC Name | |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O |
| InChI | InChI=1S/C40H70N2O18/c43-37-8-9-38(44)42(37)60-39(45)10-12-47-14-16-49-18-20-51-22-24-53-26-28-55-30-32-57-34-35-58-33-31-56-29-27-54-25-23-52-21-19-50-17-15-48-13-11-41-40(46)59-36-6-4-2-1-3-5-7-36/h1-2,36H,3-35H2,(H,41,46)/b2-1- |
| InChIKey | NVOXZBGFZZFRHC-UPHRSURJSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
| Storage | -20°C |
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 43 |
| Exact Mass | 866.46236339 g/mol |
| Monoisotopic Mass | 866.46236339 g/mol |
| Topological Polar Surface Area | 213Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1090 |
| 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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