Sulfo-Cyanine3 carboxylic acid

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Sulfo-Cyanine3 carboxylic acid

Sulfo-Cyanine3 carboxylic acid

Catelog Number F03-0003
Category sulfo-Cyanine3
Molecular Formula C30H35N2KO8S2
Molecular Weight 654.84
Catalog Number Size Price Quantity
F03-0003 -- $--

Product Introduction

Water soluble sulfo-Cyanine3 dye, free unactivated monofunctional carboxylic acid. This reagent can be used as a reference fluorophore for Cy3® detection channel, as a control in experiments with other sulfo-Cyanine3 labeled products. Carboxylic acid can be also activated with carbodiimides.Absorbance and emission spectra are identical with Cy3® fluorophore.

Chemical Information

Related CAS 1941997-61-0 (sodium salt) 1121756-11-3 (inner salt)
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name potassium;1-(5-carboxypentyl)-3,3-dimethyl-2-[3-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]indole-5-sulfonate
Canonical SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
InChI InChI=1S/C30H36N2O8S2.K/c1-29(2)22-18-20(41(35,36)37)13-15-24(22)31(5)26(29)10-9-11-27-30(3,4)23-19-21(42(38,39)40)14-16-25(23)32(27)17-8-6-7-12-28(33)34;/h9-11,13-16,18-19H,6-8,12,17H2,1-5H3,(H2-,33,34,35,36,37,38,39,40);/q;+1/p-1
InChI Key XSSPIINVLTVORR-UHFFFAOYSA-M
Solubility Well soluble in water, DMF, DMSO (0.55 M = 360 g/L). Practically insoluble in non-polar organic solvents.
Appearance dark red crystals

Product Specification

ε, L⋅mol-1⋅cm-1 162000
Fluorescence Quantum Yield 0.1
Excitation 548
Emission 563
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 9
Rotatable Bond Count 9
Exact Mass 654.14718991 g/mol
Monoisotopic Mass 654.14718991 g/mol
Topological Polar Surface Area 175Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1350
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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