Cyanine5 tetrazine

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Cyanine5 tetrazine

Cyanine5 tetrazine

Catalog Number R08-0007
Category Tetrazines
Molecular Formula C42H48N7F6OP
Molecular Weight 811.84
Catalog Number Size Price Quantity
R08-0007 -- $--

Product Introduction

Tetrazine-cyclooctene (TCO) ligation is one of the fastest bioconjugation reactions known to date. In order to use it for fluorescent labeling, a fluorescent reporter molecule bearing one of the reacting groups is necessary.Cyanine5 tetrazine is a molecule bearing Cyanine5 fluorophore, and tetrazine moiety. Cyanine5 is a very popular fluorophore compatible with numerous instruments.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=CC=CC=C4C(C3=CC=CC=CC5=[N+](C6=CC=CC=C6C5(C)C)C)(C)C
InChI InChI=1S/C42H47N7O/c1-30-44-46-40(47-45-30)32-26-24-31(25-27-32)29-43-39(50)23-11-8-16-28-49-36-20-15-13-18-34(36)42(4,5)38(49)22-10-7-9-21-37-41(2,3)33-17-12-14-19-35(33)48(37)6/h7,9-10,12-15,17-22,24-27H,8,11,16,23,28-29H2,1-6H3/p+1
InChI Key ZDOMAUDBTABOBX-UHFFFAOYSA-O
Solubility good in DMF, DMSO, DCM
Appearance dark blue solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 250000
Fluorescence Quantum Yield 0.2
Excitation 646
Emission 662
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

XLogP3 6.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 666.39203418 g/mol
Monoisotopic Mass 666.39203418 g/mol
Topological Polar Surface Area 86.9Ų
Heavy Atom Count 50
Formal Charge 1
Complexity 1270
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 1
Compound Is Canonicalized Yes
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