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sulfo-Cyanine7 dicarboxylic acid

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* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Product Introduction

Sulfo-Cyanine7 dicarboxylic acid (Сy7 analogue) is a water soluble, bifunctional NIR dye derivative bearing two carboxylic acid functional groups.

Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	potassium;(2E)-1-(5-carboxypentyl)-2-[(2E)-2-[3-[(E)-2-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole-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)CCCCCC(=O)O)C.[K+]
InChI	InChI=1S/C42H52N2O10S2.K/c1-41(2)33-27-31(55(49,50)51)18-20-35(33)43(24-9-5-7-14-39(45)46)37(41)22-16-29-12-11-13-30(26-29)17-23-38-42(3,4)34-28-32(56(52,53)54)19-21-36(34)44(38)25-10-6-8-15-40(47)48;/h16-23,26-28H,5-15,24-25H2,1-4H3,(H3-,45,46,47,48,49,50,51,52,53,54);/q;+1/p-1
InChIKey	QEBLXZAXBRSTPL-UHFFFAOYSA-M
Solubility	good in water, DMF, DMSO
Appearance	dark green solid

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.

Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	16
Exact Mass	846.26221966 g/mol
Monoisotopic Mass	846.26221966 g/mol
Topological Polar Surface Area	212Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1840
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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