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Methyltetrazine-PEG12-amine HCl salt
| Catalog Number | R08-0040 |
| Category | Tetrazines |
| Molecular Formula | C33H58ClN5O12 |
| Molecular Weight | 752.3 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG12-Amine-HCl salt is an aqueous souluble PEG linker containing a free amine and a methyltetrazine group. Methyl group improves the stability and hydrophilic PEG spacer increases water-solubility. Methyltetrazine enable fast click reaction with TCO (trans-cycloctene), the amine (NH2) group is reactive with carboxylic acid containing molecule in the presence of reagnet such as EDC or HATU.
Chemical Information
Product Specification
Computed Properties
| Purity | 96% |
| IUPAC Name | 2-[2-[2-[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]ethoxy]ethoxy]ethanamine |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN |
| InChI | InChI=1S/C33H57N5O12/c1-30-35-37-33(38-36-30)31-2-4-32(5-3-31)50-29-28-49-27-26-48-25-24-47-23-22-46-21-20-45-19-18-44-17-16-43-15-14-42-13-12-41-11-10-40-9-8-39-7-6-34/h2-5H,6-29,34H2,1H3 |
| InChIKey | OOYKOEQEEWHQMP-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | -1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 37 |
| Exact Mass | 715.40037227 g/mol |
| Monoisotopic Mass | 715.40037227 g/mol |
| Topological Polar Surface Area | 188Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 696 |
| 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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