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sulfo-Cyanine5.5 DBCO
| Catelog Number | R09-0012 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C61H59N4K3O14S4 |
| Molecular Weight | 1317.69 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R09-0012 | -- | $-- |
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Product Introduction
Sulfo-Cyanine5.5 is a dye with far-red emission approaching NIR range. It has found application in non-invasive live-organism imaging. This particular derivative of sulfo-Cyanine5.5, the DBCO (or ADIBO) derivative, contains cycloalkyne for copper-free conjugation of this fluorophore with various organic azides. The reaction between DBCO and azides is blazingly fast, orders of magnitude exceeding the rate of copper-catalyzed reaction between azides and terminal alkynes. It is also catalyst-free.
Chemical Information |
|
|---|---|
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | tripotassium;3-[6-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]amino]-6-oxohexyl]-1,1-dimethyl-2-[5-(1,1,3-trimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole-6,8-disulfonate |
| Canonical SMILES | CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)NCCCCCC(=O)N6CC7=CC=CC=C7C#CC8=CC=CC=C86)C=CC9=C5C=C(C=C9S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)C.[K+].[K+].[K+] |
| InChI | InChI=1S/C61H62N4O14S4.3K/c1-60(2)54(63(5)50-31-29-45-47(58(50)60)35-43(80(68,69)70)37-52(45)82(74,75)76)23-9-6-10-24-55-61(3,4)59-48-36-44(81(71,72)73)38-53(83(77,78)79)46(48)30-32-51(59)64(55)34-18-8-11-25-56(66)62-33-17-7-12-26-57(67)65-39-42-21-14-13-19-40(42)27-28-41-20-15-16-22-49(41)65;;;/h6,9-10,13-16,19-24,29-32,35-38H,7-8,11-12,17-18,25-26,33-34,39H2,1-5H3,(H4-,62,66,68,69,70,71,72,73,74,75,76,77,78,79);;;/q;3*+1/p-3 |
| InChI Key | ZJKUAJFUNNNQOZ-UHFFFAOYSA-K |
| Solubility | good in water, DMF, DMSO |
| Appearance | dark blue solid |
Product Specification |
|
|---|---|
| ε, L⋅mol-1⋅cm-1 | 235000 |
| Excitation | 673 |
| Emission | 691 |
| Storage | 12 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 | |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 18 |
| Exact Mass | 1316.1821817 g/mol |
| Monoisotopic Mass | 1316.1821817 g/mol |
| Topological Polar Surface Area | 318Ų |
| Heavy Atom Count | 86 |
| Formal Charge | 0 |
| Complexity | 3070 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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