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Cyanine3 tetrazine
| Catalog Number | R08-0006 |
| Category | Tetrazines |
| Molecular Formula | C40H46N7BF4O |
| Molecular Weight | 727.64 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cyanine3 tetrazine is a fluorescent dye with tetrazine moiety for a conjugation reaction called TCO (trans-cyclooctene) ligation. Actually, tetrazines react not only with trans-cyclooctenes, but also with (methyl)cyclopropenes and strained non-benzo-fused cycloalkynes.Cyanine3 is a moderately hydrophobic dye, enabling labeling in non-aqueous environment as well as in aqueous media containing some organic co-solvent like acetonitrile or DMSO. For reactions in purely aqueous media, a sulfonated version of this reagent is available.
Chemical Information
Product Specification
Computed Properties
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 6-[3,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=CC=CC=C4C(C3=CC=CC5=[N+](C6=CC=CC=C6C5(C)C)C)(C)C |
| InChI | InChI=1S/C40H45N7O/c1-28-42-44-38(45-43-28)30-24-22-29(23-25-30)27-41-37(48)21-8-7-13-26-47-34-18-12-10-16-32(34)40(4,5)36(47)20-14-19-35-39(2,3)31-15-9-11-17-33(31)46(35)6/h9-12,14-20,22-25H,7-8,13,21,26-27H2,1-6H3/p+1 |
| InChIKey | LZSZEWSNRFPYNS-UHFFFAOYSA-O |
| Solubility | good in DCM, DMSO, DMF |
| Appearance | dark red solid |
| ε, L⋅mol-1⋅cm-1 | 150000 |
| Fluorescence Quantum Yield | 0.31 |
| Excitation | 555 |
| Emission | 570 |
| Storage | 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 640.37638412 g/mol |
| Monoisotopic Mass | 640.37638412 g/mol |
| Topological Polar Surface Area | 86.9Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 1 |
| Complexity | 1190 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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