Sulfo-Cy3-Methyltetrazine

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Sulfo-Cy3-Methyltetrazine

Sulfo-Cy3-Methyltetrazine | 1801924-47-9

Catalog Number F03-0023
Category sulfo-Cyanine3
Molecular Formula C42H49N7O10S3
Molecular Weight 908.1
Catalog Number Size Price Quantity
F03-0023 -- $--

Product Introduction

Sulfo-Cy3-Methyltetrazine is a water soluble dye containing methyltetrazine moiety for the coupling with trans-cyclooctenes. Methyltetrazines possess optimal stability at physiological pH and is highly reactive towards cyclooctenes and this fluorophore is bright and very well visible with naked eye.

Chemical Information

Synonyms 2-(3-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3H-indol-1-ium-5-sulfonate
Purity 95%
IUPAC Name 2-[(E,3Z)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]indol-1-ium-5-sulfonate
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCC[N+]3=C(C(C4=C3C=CC(=C4)S(=O)(=O)[O-])(C)C)C=CC=C5C(C6=C(N5CCCS(=O)(=O)O)C=CC(=C6)S(=O)(=O)O)(C)C
InChI InChI=1S/C42H49N7O10S3/c1-28-44-46-40(47-45-28)30-16-14-29(15-17-30)27-43-39(50)13-7-6-8-22-48-35-20-18-31(61(54,55)56)25-33(35)41(2,3)37(48)11-9-12-38-42(4,5)34-26-32(62(57,58)59)19-21-36(34)49(38)23-10-24-60(51,52)53/h9,11-12,14-21,25-26H,6-8,10,13,22-24,27H2,1-5H3,(H3-,43,50,51,52,53,54,55,56,57,58,59)
InChI Key OZCFOARLJNJDKW-UHFFFAOYSA-N
Solubility Water, DMSO, DMF, DCM
  • Product Specification
Excitation 555
Emission 580
Storage -20 °C

Computed Properties

XLogP3 2.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 16
Exact Mass 907.27030431 g/mol
Monoisotopic Mass 907.27030431 g/mol
Topological Polar Surface Area 278Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 2000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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