Cyanine5.5 carboxylic acid

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Cyanine5.5 carboxylic acid

Cyanine5.5 carboxylic acid | 1144107-80-1

Catalog Number F02-0012
Category Cyanine5.5
Molecular Formula C40H43ClN2O2
Molecular Weight 619.23
Catalog Number Size Price Quantity
F02-0012 -- $--

Product Introduction

Cyanine5.5 dye, free acid form, unactivated. The dye can be considered non-reactive for most applications. It can be used as a control or reference sample, and for instrument calibration. Pre-activated NHS ester for the labeling of amine groups is also available.

Chemical Information

Related CAS 1449612-07-0 (inner salt) 1449661-34-0 (without anion)
Synonyms Cyanine5.5 dye; Cy5.5-cooh
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanoic acid;chloride
Canonical SMILES CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)O)C=CC6=CC=CC=C65)(C)C)C.[Cl-]
InChI InChI=1S/C40H42N2O2.ClH/c1-39(2)34(41(5)32-25-23-28-16-11-13-18-30(28)37(32)39)20-8-6-9-21-35-40(3,4)38-31-19-14-12-17-29(31)24-26-33(38)42(35)27-15-7-10-22-36(43)44;/h6,8-9,11-14,16-21,23-26H,7,10,15,22,27H2,1-5H3;1H
InChI Key UFNAFNWOXFAMSM-UHFFFAOYSA-N
Solubility soluble in organic solvents (DMSO, DMF, dichloromethane), practically insoluble in water (< 1 uM, < 1 mg/L)
Appearance dark blue powder
  • Product Specification
ε, L⋅mol-1⋅cm-1 198000
Fluorescence Quantum Yield 0.2
Excitation 684
Emission 710
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 4
Rotatable Bond Count 9
Exact Mass 618.3013063 g/mol
Monoisotopic Mass 618.3013063 g/mol
Topological Polar Surface Area 43.6Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1170
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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