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Active-Mono-Sulfone-PEG8-amido-Methyltetrazine
| Catalog Number | R08-0018 |
| Category | Tetrazines |
| Molecular Formula | C47H62N6O13S |
| Molecular Weight | 951.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Active-Mono-Sulfone-PEG8-amido-Methyltetrazine features a methyltetrazine moiety, enabling it to participate in inverse electron-demand Diels–Alder reactions with trans-cyclooctenes. This reagent incorporates an 8-unit polyethylene glycol (PEG) linker, enhancing solubility and flexibility for bioconjugation applications. It is commonly used in the modification of biomolecules and surfaces, facilitating efficient labeling and conjugation processes in bioorthogonal chemistry.
Chemical Information
Product Specification
Computed Properties
Chemical Information
| IUPAC Name | 4-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=C)C(=O)C2=CC=C(C=C2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC3=CC=C(C=C3)C4=NN=C(N=N4)C |
| InChI | InChI=1S/C47H62N6O13S/c1-36-4-14-43(15-5-36)67(57,58)35-37(2)45(55)40-10-12-42(13-11-40)47(56)48-17-19-60-21-23-62-25-27-64-29-31-66-33-32-65-30-28-63-26-24-61-22-20-59-18-16-44(54)49-34-39-6-8-41(9-7-39)46-52-50-38(3)51-53-46/h4-15H,2,16-35H2,1,3H3,(H,48,56)(H,49,54) |
| InChIKey | JIYMLIPJZIKWMK-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Computed Properties
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 36 |
| Exact Mass | 950.40955723 g/mol |
| Monoisotopic Mass | 950.40955723 g/mol |
| Topological Polar Surface Area | 243Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1480 |
| 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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