Sulfo-Cyanine7 tetrazine

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Sulfo-Cyanine7 tetrazine

Sulfo-Cyanine7 tetrazine

Catalog Number R08-0016
Category Tetrazines
Molecular Formula C47H52N7KO7S2
Molecular Weight 930.19
Catalog Number Size Price Quantity
R08-0016 -- $--

Product Introduction

Sulfo-Cyanine7 is a near infrared, water soluble fluorophore. This derivative contains methyltetrazine group for the fast, efficient, and metal free conjugation with cycloalkenes in a reaction called TCO ligation.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name potassium;3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]-2-[2-[3-[2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole-5-sulfonate
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=C(C=C(C=C4)S(=O)(=O)[O-])C(C3=CC=C5CCCC(=C5)C=CC6=[N+](C7=C(C6(C)C)C=C(C=C7)S(=O)(=O)[O-])C)(C)C.[K+]
InChI InChI=1S/C47H53N7O7S2.K/c1-31-49-51-45(52-50-31)35-18-14-34(15-19-35)30-48-44(55)13-8-7-9-26-54-41-23-21-37(63(59,60)61)29-39(41)47(4,5)43(54)25-17-33-12-10-11-32(27-33)16-24-42-46(2,3)38-28-36(62(56,57)58)20-22-40(38)53(42)6;/h14-25,27-29H,7-13,26,30H2,1-6H3,(H2-,48,55,56,57,58,59,60,61);/q;+1/p-1
InChI Key LCGATPHNTMXJNS-UHFFFAOYSA-M
Solubility good in DMF, DMSO, water
Appearance dark green solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 240600
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 12
Rotatable Bond Count 13
Exact Mass 929.30067086 g/mol
Monoisotopic Mass 929.30067086 g/mol
Topological Polar Surface Area 218Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 2030
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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