Cyanine7 dicarboxylic acid

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Cyanine7 dicarboxylic acid

Cyanine7 dicarboxylic acid

Catalog Number F02-0017
Category Cyanine7
Molecular Formula C42H53N2ClO4
Molecular Weight 685.33
Catalog Number Size Price Quantity
F02-0017 -- $--

Product Introduction

Cyanine7 dicarboxylic acid is a bifunctional dye molecule bearing two carboxylic groups. Cyanine7 possesses near infrared fluorescence.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[2-[2-[3-[2-[1-(6-hydroxyhexyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC(=CC=C4C(C5=CC=CC=C5N4CCCCCCO)(C)C)CCC3)CCCCCC(=O)O)C.[Cl-]
InChI InChI=1S/C42H54N2O3.ClH/c1-41(2)34-19-9-11-21-36(34)43(28-13-5-6-15-30-45)38(41)26-24-32-17-16-18-33(31-32)25-27-39-42(3,4)35-20-10-12-22-37(35)44(39)29-14-7-8-23-40(46)47;/h9-12,19-22,24-27,31,45H,5-8,13-18,23,28-30H2,1-4H3;1H
InChI Key YPBICWHIZGPJNG-UHFFFAOYSA-N
Solubility good in DCM, DMF, DMSO
Appearance dark green solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 199000
Fluorescence Quantum Yield 0.3
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 5
Rotatable Bond Count 15
Exact Mass 670.3901213 g/mol
Monoisotopic Mass 670.3901213 g/mol
Topological Polar Surface Area 63.8Ų
Heavy Atom Count 48
Formal Charge 0
Complexity 1230
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
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