Cyanine3.5 NHS ester

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Cyanine3.5 NHS ester

Cyanine3.5 NHS ester | 2231670-85-0

Catelog Number R01-0018
Category NHS Esters
Molecular Formula C42H44N3O4
Molecular Weight 654.83
Catalog Number Size Price Quantity
R01-0018 -- $--

Product Introduction

Cyanine3.5 NHS ester (an analog of Cy3.5® NHS ester) is a reactive dye for the labeling of amino-groups in peptides, proteins, and oligonucleotides.Cyanine3.5 NHS ester can replace NHS esters of Cy3.5®, Alexa Fluor 594, DyLight 594.

Chemical Information

Synonyms (2,5-dioxopyrrolidin-1-yl) 6-[1,1-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-3-yl]hexanoate;trifluoroborane;fluoride; R6G alkyne
Purity NMR 1H and HPLC-MS (95%)
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 6-[1,1-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-3-yl]hexanoate;trifluoroborane;fluoride
Canonical SMILES B(F)(F)F.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC7=CC=CC=C75)(C)C)C.[F-]
InChI InChI=1S/C42H44N3O4.BF3.FH/c1-41(2)34(43(5)32-23-21-28-14-8-10-16-30(28)39(32)41)18-13-19-35-42(3,4)40-31-17-11-9-15-29(31)22-24-33(40)44(35)27-12-6-7-20-38(48)49-45-36(46)25-26-37(45)47;2-1(3)4;/h8-11,13-19,21-24H,6-7,12,20,25-27H2,1-5H3;;1H/q+1;;/p-1
InChI Key AJQWBYBQWPADLY-UHFFFAOYSA-M
Solubility soluble in organic solvents (DMF, DMSO, dichloromethane), insoluble in water
Appearance dark purple solid

Product Specification

ε, L⋅mol-1⋅cm-1 116000
Fluorescence Quantum Yield 0.35
Excitation 591
Emission 604
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 9
Rotatable Bond Count 10
Exact Mass 741.3360997 g/mol
Monoisotopic Mass 741.3360997 g/mol
Topological Polar Surface Area 69.9Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1380
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 3
Compound Is Canonicalized Yes
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