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TCO-PEG6-NHS ester | CAS 2353409-96-6
| Catalog Number | R15-0044 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C₂₈H₄₆N₂O₁₂ |
| Molecular Weight | 602.67 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG6-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG6-NHS ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2,5-Dioxopyrrolidin-1-yl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oate; 2,5-dioxopyrrolidin-1-yl 1-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12,15,18-hexaoxahenicosan-21-oate |
| Purity | 95% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O |
| InChI | InChI=1S/C28H46N2O12/c31-25-8-9-26(32)30(25)42-27(33)10-12-35-14-16-37-18-20-39-22-23-40-21-19-38-17-15-36-13-11-29-28(34)41-24-6-4-2-1-3-5-7-24/h1-2,24H,3-23H2,(H,29,34)/b2-1- |
| InChIKey | ADJYXGBSZXWRNW-UPHRSURJSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 25 |
| Exact Mass | 602.30507491 g/mol |
| Monoisotopic Mass | 602.30507491 g/mol |
| Topological Polar Surface Area | 157Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 794 |
| 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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