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Methyltetrazine-PEG8-NH-Boc
| Catalog Number | R08-0026 |
| Category | Tetrazines |
| Molecular Formula | C30H49N5O10 |
| Molecular Weight | 639.8 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG8-NH-Boc is a click chemistry crosslinker containing methyltetrazine and a Boc protecting group. Methyltetrazine enable fast click reaction with TCO (trans-cycloctene). The hydrophilic PEG spacer arm improves water solubility and is transferrable to the labeled molecule, reducing aggregation of labeled proteins stored in solution. The Boc protecting group can be removed under acidic conditions.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C |
| InChI | InChI=1S/C30H49N5O10/c1-25-32-34-28(35-33-25)26-5-7-27(8-6-26)44-24-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-10-9-31-29(36)45-30(2,3)4/h5-8H,9-24H2,1-4H3,(H,31,36) |
| InChIKey | SQMLBQLVYAJKQD-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 28 |
| Exact Mass | 639.34794278 g/mol |
| Monoisotopic Mass | 639.34794278 g/mol |
| Topological Polar Surface Area | 164Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 705 |
| 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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