Sulfo-Cyanine5 carboxylic acid | 1144107-82-3

Catelog Number	F03-0007
Category	sulfo-Cyanine5
Molecular Formula	C32H37N2KO8S2
Molecular Weight	680,87

Catalog Number	Size	Price	Quantity
F03-0007	--	$--

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Product Introduction

Non-activated sulfo-Cyanine5 carboxylic acid, water soluble dye. This dye is highly hydrophilic and water-soluble. Non-sulfonated analog is available. The fluorophore is an equivalent of Cy5® carboxylic acid.For labeling applications consider using pre-activated sulfo-Cy5 NHS ester

Chemical Information
Related CAS	1121756-16-8 (inner salt) 2098639-31-5 (sodium salt)
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	potassium;1-(5-carboxypentyl)-3,3-dimethyl-2-[5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
Canonical SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
InChI	InChI=1S/C32H38N2O8S2.K/c1-31(2)24-20-22(43(37,38)39)15-17-26(24)33(5)28(31)12-8-6-9-13-29-32(3,4)25-21-23(44(40,41)42)16-18-27(25)34(29)19-11-7-10-14-30(35)36;/h6,8-9,12-13,15-18,20-21H,7,10-11,14,19H2,1-5H3,(H2-,35,36,37,38,39,40,41,42);/q;+1/p-1
InChI Key	ADTLWAAMVPCPTC-UHFFFAOYSA-M
Solubility	Well soluble in water, DMF, DMSO (0.35 M = 240 g/L). Practically insoluble in non-polar organic solvents.
Appearance	dark blue powder

Product Specification
ε, L⋅mol-1⋅cm-1	271000
Fluorescence Quantum Yield	0.28
Excitation	646
Emission	662
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	680.16283997 g/mol
Monoisotopic Mass	680.16283997 g/mol
Topological Polar Surface Area	175Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1400
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