Cyanine5 DBCO

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Cyanine5 DBCO

Cyanine5 DBCO

Catalog Number R09-0005
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C53H59N4F6O2P
Molecular Weight 929.03
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Product Introduction

A derivative of Cyanine5 red-emitting fluorophore possessing DBCO (dibenzocyclooctyne, also known as ADIBO, azodibenzocyclooctyne) group for copper free Click chemistry.Strained cycloalkynes, such as cyclooctynes, react with azides very rapidly in the absence of copper catalyst in a strain promoted alkyne azide cycloaddition (spAAC). This reaction is very fast, mild, and biocompatible.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

  • Literatures

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-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanamide;hexafluorophosphate
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=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/C53H58N4O2.F6P/c1-52(2)43-26-16-19-29-46(43)55(5)48(52)31-9-6-10-32-49-53(3,4)44-27-17-20-30-47(44)56(49)38-22-8-11-33-50(58)54-37-21-7-12-34-51(59)57-39-42-25-14-13-23-40(42)35-36-41-24-15-18-28-45(41)57;1-7(2,3,4,5)6/h6,9-10,13-20,23-32H,7-8,11-12,21-22,33-34,37-39H2,1-5H3;/q;-1/p+1
InChIKey YPXNDZYXPDFNEL-UHFFFAOYSA-O
Solubility good in DMF, DMSO, chlorinated organic solvents, practically insoluble in water (<1 uM, < 1 mg/L)
Appearance dark blue solid
ε, L⋅mol-1⋅cm-1 250000
Fluorescence Quantum Yield 0.2
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.
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 15
Exact Mass 928.42798311 g/mol
Monoisotopic Mass 928.42798311 g/mol
Topological Polar Surface Area 55.7Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1720
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
PMID Publication Date Title Journal
8464 1976-09-10 Identification of the covalently bound flavin of thiamin dehydrogenase The Journal of biological chemistry

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