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Methyltetrazine-PEG4-t-butyl ester
| Catalog Number | R08-0022 |
| Category | Tetrazines |
| Molecular Formula | C24H36N4O7 |
| Molecular Weight | 492.6 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG4-t-butyl ester is PEG linker containing methyltetrazine and t-butyl ester moieties. Methyltetrazine enable fast click reaction with TCO (trans-cycloctene). The t-butyl protected carboxyl group can be deprotected under acidic conditions.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCC(=O)OC(C)(C)C |
| InChI | InChI=1S/C24H36N4O7/c1-19-25-27-23(28-26-19)20-5-7-21(8-6-20)34-18-17-33-16-15-32-14-13-31-12-11-30-10-9-22(29)35-24(2,3)4/h5-8H,9-18H2,1-4H3 |
| InChIKey | WQJWSJVCGPJTKF-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 19 |
| Exact Mass | 492.25839950 g/mol |
| Monoisotopic Mass | 492.25839950 g/mol |
| Topological Polar Surface Area | 124Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 549 |
| 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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