Cyanine5 DBCO

Catelog Number	R09-0005
Category	Cycloalkyne Dyes (DBCO)
Molecular Formula	C53H59N4F6O2P
Molecular Weight	929.03

Catalog Number	Size	Price	Quantity
R09-0005	--	$--

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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
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
InChI Key	YPXNDZYXPDFNEL-UHFFFAOYSA-O
Solubility	good in DMF, DMSO, chlorinated organic solvents, practically insoluble in water (<1 uM, < 1 mg/L)
Appearance	dark blue solid

Product Specification
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.

Computed Properties
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	55.7Å²
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