Sulfo-Cyanine5.5 carboxylic acid

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Sulfo-Cyanine5.5 carboxylic acid

Sulfo-Cyanine5.5 carboxylic acid

Catelog Number F03-0011
Category sulfo-Cyanine5.5
Molecular Formula C40H39K3N2O14S4
Molecular Weight 1017.31
Catalog Number Size Price Quantity
F03-0011 -- $--

Product Introduction

Sulfo-Cyanine5.5 (analog of Cy5.5®) is a water-soluble, far red emitting fluorophore. Due to four sulfo-groups, the dye possesses negative charge in neutral pH, and very high hydrophilicity.As a cyanine dye, sulfo-Cyanine5.5 shows very low dependence of the fluorescence on pH, and very high extinction coefficient.

Chemical Information

Related CAS 2183440-68-6 (inner salt)
Synonyms potassium 3-(5-carboxypentyl)-1,1-dimethyl-2-((1E,3E,5E)-5-(1,1,3-trimethyl-6,8-disulfonato-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium-6,8-disulfonate
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name tripotassium;3-(5-carboxypentyl)-1,1-dimethyl-2-[5-(1,1,3-trimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole-6,8-disulfonate
Canonical SMILES CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)O)C=CC6=C5C=C(C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)C.[K+].[K+].[K+]
InChI InChI=1S/C40H42N2O14S4.3K/c1-39(2)34(41(5)30-17-15-26-28(37(30)39)20-24(57(45,46)47)22-32(26)59(51,52)53)12-8-6-9-13-35-40(3,4)38-29-21-25(58(48,49)50)23-33(60(54,55)56)27(29)16-18-31(38)42(35)19-11-7-10-14-36(43)44;;;/h6,8-9,12-13,15-18,20-23H,7,10-11,14,19H2,1-5H3,(H4-,43,44,45,46,47,48,49,50,51,52,53,54,55,56);;;/q;3*+1/p-3
InChI Key MMQQUABRDYPOFX-UHFFFAOYSA-K
Solubility Well soluble in water, DMF, DMSO (0.39 M = 400 g/L)
Appearance dark blue solid

Product Specification

ε, L⋅mol-1⋅cm-1 235000
Excitation 673
Emission 691
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 15
Rotatable Bond Count 12
Exact Mass 1016.0195331 g/mol
Monoisotopic Mass 1016.0195331 g/mol
Topological Polar Surface Area 306Ų
Heavy Atom Count 63
Formal Charge 0
Complexity 2250
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 4
Compound Is Canonicalized Yes
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