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Cyanine5.5 tetrazine
| Catalog Number | R08-0008 |
| Category | Cyanine5.5 |
| Molecular Formula | C50H52N7F6OP |
| Molecular Weight | 911.96 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0008 | -- | $-- |
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Product Introduction
Cyanine5.5 is a far red emitting dye for in vivo imaging and applications requiring low background. This Cyanine5.5 derivative contains tetrazine moiety that reacts with trans-cyclooctenes, cyclopropenes, and some strained cyclooctynes with the formation of stable conjugates. This labeling reaction is extremely fast, and can be used in vivo.
Chemical Information |
|
|---|---|
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-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=C(C5=CC=CC=C5C=C4)C(C3=CC=CC=CC6=[N+](C7=C(C6(C)C)C8=CC=CC=C8C=C7)C)(C)C |
| InChI | InChI=1S/C50H51N7O/c1-34-52-54-48(55-53-34)38-26-24-35(25-27-38)33-51-45(58)23-11-8-16-32-57-42-31-29-37-18-13-15-20-40(37)47(42)50(4,5)44(57)22-10-7-9-21-43-49(2,3)46-39-19-14-12-17-36(39)28-30-41(46)56(43)6/h7,9-10,12-15,17-22,24-31H,8,11,16,23,32-33H2,1-6H3/p+1 |
| InChI Key | WNOURMMJXOBPLR-UHFFFAOYSA-O |
| Solubility | good in DCM, DMF, DMSO |
| Appearance | dark blue solid |
- Product Specification
| ε, L⋅mol-1⋅cm-1 | 198000 |
| Fluorescence Quantum Yield | 0.2 |
| Excitation | 684 |
| Emission | 710 |
| 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. |
Computed Properties | |
|---|---|
| XLogP3 | 9.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 766.42333431 g/mol |
| Monoisotopic Mass | 766.42333431 g/mol |
| Topological Polar Surface Area | 86.9Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 1 |
| Complexity | 1530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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