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Cyanine3 DBCO
| Catalog Number | R09-0004 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C51H57N4O2PF6 |
| Molecular Weight | 902.99 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Azodibenzocyclooctyne (DBCO or ADIBO) is a stable but very reactive cycloalkyne for copper free Click chemistry. This reagent is a conjugate of DBCO with Cyanine3 fluorophore for the non-catalyzed, strain promoted reaction with azides.
Chemical Information
Product Specification
Computed Properties
| 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-[3,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanamide;hexafluorophosphate |
| Canonical SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCCCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)C)C.F[P-](F)(F)(F)(F)F |
| InChI | InChI=1S/C51H56N4O2.F6P/c1-50(2)41-24-13-16-27-44(41)53(5)46(50)29-20-30-47-51(3,4)42-25-14-17-28-45(42)54(47)36-19-7-8-31-48(56)52-35-18-6-9-32-49(57)55-37-40-23-11-10-21-38(40)33-34-39-22-12-15-26-43(39)55;1-7(2,3,4,5)6/h10-17,20-30H,6-9,18-19,31-32,35-37H2,1-5H3;/q;-1/p+1 |
| InChIKey | ZCVMVYOXTRZBTA-UHFFFAOYSA-O |
| Solubility | good in DMF, DMSO, DCM, alcohols, practically insoluble in water (< 1 uM, < 1 mg/L) |
| Appearance | dark red powder |
| 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. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 14 |
| Exact Mass | 902.41233304 g/mol |
| Monoisotopic Mass | 902.41233304 g/mol |
| Topological Polar Surface Area | 55.7Ų |
| Heavy Atom Count | 64 |
| Formal Charge | 0 |
| Complexity | 1640 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
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