Sulfo-Cyanine7 carboxylic acid

Catalog Number	F03-0015
Category	sulfo-Cyanine7
Molecular Formula	C37H43N2KO8S2
Molecular Weight	746.97

Catalog Number	Size	Price	Quantity
F03-0015	--	$--

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Product Introduction

Sulfo-Cyanine7 carboxylic acid is non-reactive water soluble near infrared dye. The reagent is useful as a fluorescent marker in NIR range when attachment to other molecules is not desired. It has high hydrophilicity and aqueous solubility, improved quantum yield in NIR range, and very high molar extinction coefficient. This reagent contains free carboxylic acid function. Pre-activated activated ester-sulfo-Cyanine7 NHS ester is also available.

Chemical Information
Product Specification

Related CAS	2104632-30-4 (sodium salt) 2104632-29-1 (inner salt)
Synonyms	potassium 1-(5-carboxypentyl)-3,3-dimethyl-2-((E)-2-((E)-3-(2-((E)-1,3,3-trimethyl-5-sulfonatoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3H-indol-1-ium-5-sulfonate
Purity	NMR 1H, HPLC (95%)
IUPAC Name	potassium;1-(5-carboxypentyl)-3,3-dimethyl-2-[2-[3-[2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole-5-sulfonate
Canonical SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=CC(=CC=C4C(C5=C(N4CCCCCC(=O)O)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)C)C.[K+]
InChI	InChI=1S/C37H44N2O8S2.K/c1-36(2)29-23-27(48(42,43)44)15-17-31(29)38(5)33(36)19-13-25-10-9-11-26(22-25)14-20-34-37(3,4)30-24-28(49(45,46)47)16-18-32(30)39(34)21-8-6-7-12-35(40)41;/h13-20,22-24H,6-12,21H2,1-5H3,(H2-,40,41,42,43,44,45,46,47);/q;+1/p-1
InChI Key	DATDQQRBWIPXJJ-UHFFFAOYSA-M
Solubility	Soluble in water, DMF, DMSO (0.10 M = 76 g/L). Practically insoluble in non-polar organic solvents.
Appearance	dark green powder

ε, L⋅mol-1⋅cm-1	240600
Excitation	750
Emission	773
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	10
Exact Mass	746.20979017 g/mol
Monoisotopic Mass	746.20979017 g/mol
Topological Polar Surface Area	175Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1650
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