Cyanine7 DBCO

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Cyanine7 DBCO

Cyanine7 DBCO

Catelog Number R09-0007
Category Cyanine7
Molecular Formula C58H65N4ClO2
Molecular Weight 885.62
Catalog Number Size Price Quantity
R09-0007 -- $--

Product Introduction

Cyanine7 DBCO is a NIR fluorescent dye with cycloalkyne moiety for the conjugation with azides by means of copper-free, strain promoted alkyne azide cycloaddition (spAAC).Azodibenzocyclooctyne (DBCO or ADIBO) fragment is a stable but active cycloalkyne that reacts very rapidly with azides.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name N-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-6-[3,3-dimethyl-2-[2-[3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indol-1-yl]hexanamide;hexafluorophosphate
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC(=CC=C4C(C5=CC=CC=C5N4CCCCCC(=O)NCCCCCC(=O)N6CC7=CC=CC=C7C#CC8=CC=CC=C86)(C)C)CCC3)C)C.F[P-](F)(F)(F)(F)F
InChI InChI=1S/C58H64N4O2.F6P/c1-57(2)48-26-13-16-29-51(48)60(5)53(57)37-33-43-21-20-22-44(41-43)34-38-54-58(3,4)49-27-14-17-30-52(49)61(54)40-19-7-8-31-55(63)59-39-18-6-9-32-56(64)62-42-47-25-11-10-23-45(47)35-36-46-24-12-15-28-50(46)62;1-7(2,3,4,5)6/h10-17,23-30,33-34,37-38,41H,6-9,18-22,31-32,39-40,42H2,1-5H3;/q;-1/p+1
InChI Key BCPAGJWDXBIMJR-UHFFFAOYSA-O
Solubility good in DMF, DMSO, DCM
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 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 15
Exact Mass 994.47493330 g/mol
Monoisotopic Mass 994.47493330 g/mol
Topological Polar Surface Area 55.7Ų
Heavy Atom Count 71
Formal Charge 0
Complexity 1940
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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