sulfo-Cyanine3.5 NHS ester

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sulfo-Cyanine3.5 NHS ester

sulfo-Cyanine3.5 NHS ester

Catalog Number R01-0030
Category NHS Esters
Molecular Formula C42H40N3K3O16S4
Molecular Weight 1088.33
Catalog Number Size Price Quantity
R01-0030 -- $--

Product Introduction

Cyanine3.5 is a fluorescent dye with absorption and emission intermediate between Cyanine3 and Cyanine5. Sulfonated version contains four sulfo groups which ensure high solubility and hydrophilicity of the fluorophore and labeled conjugates. The NHS ester reactive group allows to label primary and secondary amine groups.

Chemical Information

Related CAS 2231670-91-8 (without cation)
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name tripotassium;3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-2-[3-(1,1,3-trimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl)prop-2-enylidene]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=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC7=C5C=C(C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)C.[K+].[K+].[K+]
InChI InChI=1S/C42H43N3O16S4.3K/c1-41(2)34(43(5)30-15-13-26-28(39(30)41)20-24(62(49,50)51)22-32(26)64(55,56)57)10-9-11-35-42(3,4)40-29-21-25(63(52,53)54)23-33(65(58,59)60)27(29)14-16-31(40)44(35)19-8-6-7-12-38(48)61-45-36(46)17-18-37(45)47;;;/h9-11,13-16,20-23H,6-8,12,17-19H2,1-5H3,(H3-,49,50,51,52,53,54,55,56,57,58,59,60);;;/q;3*+1/p-3
InChI Key ZIHCBFPLFPPRAR-UHFFFAOYSA-K
Solubility good in water, DMF, DMSO
Appearance deep purple powder
  • Product Specification
ε, L⋅mol-1⋅cm-1 139000
Fluorescence Quantum Yield 0.11
Excitation 576
Emission 603
Storage 12 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 0
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 13
Exact Mass 1087.0202613 g/mol
Monoisotopic Mass 1087.0202613 g/mol
Topological Polar Surface Area 332Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 2470
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes
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