sulfo-Cyanine5 DBCO

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sulfo-Cyanine5 DBCO

sulfo-Cyanine5 DBCO

Catelog Number R09-0011
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C53H57N4KO8S2
Molecular Weight 981.27
Catalog Number Size Price Quantity
R09-0011 -- $--

Product Introduction

Copper free Click chemistry reaction between strained cycloalkynes (cyclooctynes), and azides, is a very fast and robust reaction. It can be used for a fast labeling with fluorescent dyes. This reagent is a derivative of water soluble sulfo-Cyanine5 dye which emits in red channel. It is useful for the labeling of biomolecules in aqueous media.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name potassium;1-[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]-3,3-dimethyl-2-[5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
Canonical SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)NCCCCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
InChI InChI=1S/C53H58N4O8S2.K/c1-52(2)43-35-41(66(60,61)62)29-31-46(43)55(5)48(52)23-9-6-10-24-49-53(3,4)44-36-42(67(63,64)65)30-32-47(44)56(49)34-18-8-11-25-50(58)54-33-17-7-12-26-51(59)57-37-40-21-14-13-19-38(40)27-28-39-20-15-16-22-45(39)57;/h6,9-10,13-16,19-24,29-32,35-36H,7-8,11-12,17-18,25-26,33-34,37H2,1-5H3,(H2-,54,58,60,61,62,63,64,65);/q;+1/p-1
InChI Key CIWJZTXKADKPKJ-UHFFFAOYSA-M
Solubility good in water, DMF, DMSO
Appearance dark colored solid

Product Specification

ε, L⋅mol-1⋅cm-1 271000
Fluorescence Quantum Yield 0.28
Excitation 646
Emission 662
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 9
Rotatable Bond Count 15
Exact Mass 980.32548862 g/mol
Monoisotopic Mass 980.32548862 g/mol
Topological Polar Surface Area 187Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 2180
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
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