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Methyltetrazine-PEG2-DBCO
| Catalog Number | R01-0337 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C32H30N6O4 |
| Molecular Weight | 562.6 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0337 | -- | -- |
* 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-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethyl]-4-oxobutanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C32H30N6O4/c1-23-34-36-32(37-35-23)26-12-14-28(15-13-26)42-21-20-41-19-18-33-30(39)16-17-31(40)38-22-27-8-3-2-6-24(27)10-11-25-7-4-5-9-29(25)38/h2-9,12-15H,16-22H2,1H3,(H,33,39) |
| InChIKey | LJLWQUVWXUTVLI-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 562.23285346 g/mol |
| Monoisotopic Mass | 562.23285346 g/mol |
| Topological Polar Surface Area | 119Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 936 |
| 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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