Cyanine3.5 azide

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Cyanine3.5 azide

Cyanine3.5 azide

Catalog Number F02-0005
Category Cyanine3.5
Molecular Formula C44H53ClN6O
Molecular Weight 717.38
Catalog Number Size Price Quantity

Product Introduction

Cyanine3.5 labeling reagent, solid material and 10 mM solution in DMSO, for Click Chemistry.Can replace Cy3.5®, Alexa Fluor 594, DyLight 594.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name N-(3-azidopropyl)-6-[2-[3-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanamide;chloride
Canonical SMILES CCCCN1C2=C(C3=CC=CC=C3C=C2)C(C1=CC=CC4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CCCCCC(=O)NCCCN=[N+]=[N-])(C)C.[Cl-]
InChI InChI=1S/C44H52N6O.ClH/c1-6-7-30-49-36-26-24-32-17-10-12-19-34(32)41(36)43(2,3)38(49)21-15-22-39-44(4,5)42-35-20-13-11-18-33(35)25-27-37(42)50(39)31-14-8-9-23-40(51)46-28-16-29-47-48-45;/h10-13,15,17-22,24-27H,6-9,14,16,23,28-31H2,1-5H3;1H
InChI Key XAQWULMJVUHJAN-UHFFFAOYSA-N
Solubility soluble in organic solvents (DMF, DMSO, dichloromethane), insoluble in water
Appearance dark purple powder / solution
  • Product Specification
ε, L⋅mol-1⋅cm-1 116000
Fluorescence Quantum Yield 0.35
Excitation 591
Emission 604
Storage 24 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 5
Rotatable Bond Count 15
Exact Mass 716.3969380 g/mol
Monoisotopic Mass 716.3969380 g/mol
Topological Polar Surface Area 49.7Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1340
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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