sulfo-Cyanine7 dicarboxylic acid

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sulfo-Cyanine7 dicarboxylic acid

sulfo-Cyanine7 dicarboxylic acid

Catalog Number F03-0016
Category sulfo-Cyanine7
Molecular Formula C42H51N2KO10S2
Molecular Weight 847.09
Catalog Number Size Price Quantity
F03-0016 -- $--

Product Introduction

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

Chemical Information

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
InChI Key QEBLXZAXBRSTPL-UHFFFAOYSA-M
Solubility good in water, DMF, DMSO
Appearance dark green solid
  • Product Specification
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 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 212Ų
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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