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FAM tetrazine, 5-isomer
| Catalog Number | R08-0011 |
| Category | Fluorescein FAM |
| Molecular Formula | C31H21N5O6 |
| Molecular Weight | 559.53 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Tetrazine (methyltetrazine) derivative of fluorescein, pure 5-isomer. Tetrazines are reactive heterodiene components for [4+2] inverse electron demand Diels-Alder reaction (ied-DA) with strained cycloalkenes (trans-cyclooctenes, cyclopropenes). This reaction is also called TCO (tetrazine-cyclooctene) ligation. The reaction is among the fastest bioconjugation reactions.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 5-isomer FAM tetrazine |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 3',6'-dihydroxy-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O |
| InChI | InChI=1S/C31H21N5O6/c1-16-33-35-28(36-34-16)18-4-2-17(3-5-18)15-32-29(39)19-6-9-23-22(12-19)30(40)42-31(23)24-10-7-20(37)13-26(24)41-27-14-21(38)8-11-25(27)31/h2-14,37-38H,15H2,1H3,(H,32,39) |
| InChIKey | VWBVWYWGTPSCBT-UHFFFAOYSA-N |
| Solubility | good in DMF, DMSO |
| Appearance | yellow solid |
| ε, L⋅mol-1⋅cm-1 | 80000 |
| Fluorescence Quantum Yield | 0.93 |
| Excitation | 490 |
| Emission | 513 |
| 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 | 2.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 559.14918341 g/mol |
| Monoisotopic Mass | 559.14918341 g/mol |
| Topological Polar Surface Area | 157Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 974 |
| 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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