Cyanine3 DBCO

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Cyanine3 DBCO

Cyanine3 DBCO

Catelog Number R09-0004
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C51H57N4O2PF6
Molecular Weight 902.99
Catalog Number Size Price Quantity
R09-0004 -- $--

Product Introduction

Azodibenzocyclooctyne (DBCO or ADIBO) is a stable but very reactive cycloalkyne for copper free Click chemistry. This reagent is a conjugate of DBCO with Cyanine3 fluorophore for the non-catalyzed, strain promoted reaction 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-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanamide;hexafluorophosphate
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCCCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)C)C.F[P-](F)(F)(F)(F)F
InChI InChI=1S/C51H56N4O2.F6P/c1-50(2)41-24-13-16-27-44(41)53(5)46(50)29-20-30-47-51(3,4)42-25-14-17-28-45(42)54(47)36-19-7-8-31-48(56)52-35-18-6-9-32-49(57)55-37-40-23-11-10-21-38(40)33-34-39-22-12-15-26-43(39)55;1-7(2,3,4,5)6/h10-17,20-30H,6-9,18-19,31-32,35-37H2,1-5H3;/q;-1/p+1
InChI Key ZCVMVYOXTRZBTA-UHFFFAOYSA-O
Solubility good in DMF, DMSO, DCM, alcohols, practically insoluble in water (< 1 uM, < 1 mg/L)
Appearance dark red powder

Product Specification

ε, L⋅mol-1⋅cm-1 150000
Fluorescence Quantum Yield 0.31
Excitation 555
Emission 570
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 14
Exact Mass 902.41233304 g/mol
Monoisotopic Mass 902.41233304 g/mol
Topological Polar Surface Area 55.7Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 1640
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 2
Compound Is Canonicalized Yes
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