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Methyltetrazine-PEG8-DBCO
| Catalog Number | R01-0334 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C44H54N6O10 |
| Molecular Weight | 827.0 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-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]-4-oxobutanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C44H54N6O10/c1-35-46-48-44(49-47-35)38-12-14-40(15-13-38)60-33-32-59-31-30-58-29-28-57-27-26-56-25-24-55-23-22-54-21-20-53-19-18-45-42(51)16-17-43(52)50-34-39-8-3-2-6-36(39)10-11-37-7-4-5-9-41(37)50/h2-9,12-15H,16-34H2,1H3,(H,45,51) |
| InChIKey | UPIVBEJTWNIMKG-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 29 |
| Exact Mass | 826.39014194 g/mol |
| Monoisotopic Mass | 826.39014194 g/mol |
| Topological Polar Surface Area | 175Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1240 |
| 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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