Cyanine5.5 DBCO
Catelog Number | R09-0006 |
Category | Cycloalkyne Dyes (DBCO) |
Molecular Formula | C61H63N4F6O2P |
Molecular Weight | 1029.14 |
Catalog Number | Size | Price | Quantity |
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R09-0006 | -- | $-- |
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Product Introduction
Strain promoted alkyne azide cycloaddition (spAAc) between strained cycloalkynes and azides is a useful bioconjugation method that eliminates the need for copper catalyst necessary for classical CuAAc Click chemistry.
Chemical Information |
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Purity | NMR 1H, HPLC-MS (95%) |
IUPAC Name | N-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-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]hexanamide;hexafluorophosphate |
Canonical SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)NCCCCCC(=O)N6CC7=CC=CC=C7C#CC8=CC=CC=C86)C=CC9=CC=CC=C95)(C)C)C.F[P-](F)(F)(F)(F)F |
InChI | InChI=1S/C61H62N4O2.F6P/c1-60(2)54(63(5)52-39-37-45-24-15-18-28-49(45)58(52)60)31-9-6-10-32-55-61(3,4)59-50-29-19-16-25-46(50)38-40-53(59)64(55)42-22-8-11-33-56(66)62-41-21-7-12-34-57(67)65-43-48-27-14-13-23-44(48)35-36-47-26-17-20-30-51(47)65;1-7(2,3,4,5)6/h6,9-10,13-20,23-32,37-40H,7-8,11-12,21-22,33-34,41-43H2,1-5H3;/q;-1/p+1 |
InChI Key | CICHRHLVMUNIGJ-UHFFFAOYSA-O |
Solubility | good in DMF, DMSO, chlorinated organic solvents |
Appearance | dark colored solid |
Product Specification |
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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 | |
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Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 15 |
Exact Mass | 1028.45928324 g/mol |
Monoisotopic Mass | 1028.45928324 g/mol |
Topological Polar Surface Area | 55.7Ų |
Heavy Atom Count | 74 |
Formal Charge | 0 |
Complexity | 1990 |
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 | 2 |
Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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