Cyanine5 alkyne

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Cyanine5 alkyne

Cyanine5 alkyne | 1223357-57-0

Catelog Number R02-0022
Category Cyanine
Molecular Formula C35H42ClN3O
Molecular Weight 556.18
Catalog Number Size Price Quantity
R02-0022 10 mg $498

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

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

Product Specification

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 35.4Ų
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
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