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Methyltetrazine-PEG9-acid
| Catalog Number | R08-0055 |
| Category | Tetrazines |
| Molecular Formula | C30H48N4O12 |
| Molecular Weight | 656.7 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG9-acid features a methyltetrazine moiety known for its participation in inverse electron-demand Diels–Alder reactions, facilitating bioorthogonal conjugation processes. The PEG9 linker embedded within its structure enhances solubility and flexibility, allowing for efficient incorporation into complex bioconjugation strategies. This reagent is commonly used in the functionalization of biomolecules, surface modification, and polymer assembly, where precise and orthogonal reactivity is essential.
Chemical Information
Product Specification
Computed Properties
Chemical Information
| Purity | 96% |
| IUPAC Name | 3-[2-[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]ethoxy]ethoxy]propanoic acid |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C30H48N4O12/c1-26-31-33-30(34-32-26)27-2-4-28(5-3-27)46-25-24-45-23-22-44-21-20-43-19-18-42-17-16-41-15-14-40-13-12-39-11-10-38-9-8-37-7-6-29(35)36/h2-5H,6-25H2,1H3,(H,35,36) |
| InChIKey | DNSXREKTZGCQQC-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Computed Properties
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 32 |
| Exact Mass | 656.32687298 g/mol |
| Monoisotopic Mass | 656.32687298 g/mol |
| Topological Polar Surface Area | 181Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 686 |
| 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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