Cyanine5 alkyne | 1223357-57-0

Catalog Number	R02-0022
Category	Cyanine5
Molecular Formula	C35H42ClN3O
Molecular Weight	556.18

Catalog Number	Size	Price	Quantity
R02-0022	10 mg	$498
R02-0022	--	--

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Product Introduction

Cyanine5 alkyne for Click Chemistry, an analog of Cy5® alkyne. With this product, deeply colored, and photostable Cyanine5 fluorophore can be attached to various molecules via Click Chemistry reaction with azides. This alkyne is non-water soluble, but it can be dissolved in DMF or DMSO prior to reaction, and added to aqueous reaction mixture. With our labeling protocol, the labeling reaction is very efficient, and high-yielding.

Chemical Information
Product Specification

Synonyms	Cy5 alkyne; 3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-2-((1E,3E)-5-((E)-1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium chloride; 6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-prop-2-ynylhexanamide;chloride
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-prop-2-ynylhexanamide;chloride
Canonical SMILES	CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCC#C)(C)C)C)C.[Cl-]
InChI	InChI=1S/C35H41N3O.ClH/c1-7-25-36-33(39)24-12-9-17-26-38-30-21-16-14-19-28(30)35(4,5)32(38)23-11-8-10-22-31-34(2,3)27-18-13-15-20-29(27)37(31)6;/h1,8,10-11,13-16,18-23H,9,12,17,24-26H2,2-6H3;1H
InChI Key	VOWXUNAERRNFLE-UHFFFAOYSA-N
Solubility	good in dichloromethane, DMF, DMSO, alcohols, very poorly soluble in water (200 mg/L = 0.4 mM)
Appearance	dark blue powder

ε, L⋅mol-1⋅cm-1	250000
Fluorescence Quantum Yield	0.2
Excitation	646
Emission	662
Storage	24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks.

Computed Properties
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	555.3016407 g/mol
Monoisotopic Mass	555.3016407 g/mol
Topological Polar Surface Area	35.4Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1050
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