Sulfo-Cyanine3 NHS ester

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Sulfo-Cyanine3 NHS ester

Sulfo-Cyanine3 NHS ester

Catelog Number R01-0029
Category sulfo-Cyanine3
Molecular Formula C34H38N3KO10S2
Molecular Weight 751.91
Catalog Number Size Price Quantity
R01-0029 -- $--

Product Introduction

Water soluble, amino-reactive sulfo-Cyanine3 NHS ester. Efficiently labels proteins and peptides in purely aqueous solution, without need for organic co-solvent. Ideal for proteins with low solubility, and proteins prone to denaturation. This is sulfonated, hydrophilic and water-soluble dye. Non-sulfonated Cyanine3 NHS ester is also available.

Chemical Information

Related CAS 1424150-38-8 (sodium salt)
Synonyms potassium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[3-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]indole-5-sulfonate; potassium 1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-((E)-3-((E)-1,3,3-trimethyl-5-sulfonatoindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium-5-sulfonate
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name potassium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-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)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
InChI InChI=1S/C34H39N3O10S2.K/c1-33(2)24-20-22(48(41,42)43)13-15-26(24)35(5)28(33)10-9-11-29-34(3,4)25-21-23(49(44,45)46)14-16-27(25)36(29)19-8-6-7-12-32(40)47-37-30(38)17-18-31(37)39;/h9-11,13-16,20-21H,6-8,12,17-19H2,1-5H3,(H-,41,42,43,44,45,46);/q;+1/p-1
InChI Key ZNWGQSGULWNMHO-UHFFFAOYSA-M
Solubility soluble in water (0.62 M = 47 g/L), in polar organic solvents (DMF, DMSO)
Appearance dark red crystals

Product Specification

ε, L⋅mol-1⋅cm-1 162000
Fluorescence Quantum Yield 0.1
Excitation 548
Emission 563
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 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 11
Exact Mass 751.16356825 g/mol
Monoisotopic Mass 751.16356825 g/mol
Topological Polar Surface Area 201Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1630
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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