JOE alkyne, 6-isomer

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JOE alkyne, 6-isomer

JOE alkyne, 6-isomer

Catalog Number R02-0028
Category JOE Dyes
Molecular Formula C26H17NCl2O8
Molecular Weight 542.32
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Product Introduction

JOE dye is a fluorophore similar to TET, but less hydrophobic. The dye is often used for the labeling of nucleic acids.JOE alkyne can be conjugated with azides using copper catalyzed Click chemistry reaction.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxo-N-prop-2-ynylspiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
Canonical SMILES COC1=C(C(=C2C(=C1)C3(C4=CC(=C(C(=C4O2)Cl)O)OC)C5=C(C=CC(=C5)C(=O)NCC#C)C(=O)O3)Cl)O
InChI InChI=1S/C26H17Cl2NO8/c1-4-7-29-24(32)11-5-6-12-13(8-11)26(37-25(12)33)14-9-16(34-2)20(30)18(27)22(14)36-23-15(26)10-17(35-3)21(31)19(23)28/h1,5-6,8-10,30-31H,7H2,2-3H3,(H,29,32)
InChIKey FITDEERKHNKYNG-UHFFFAOYSA-N
Solubility good in DMF, DMSO
Appearance orange solid
ε, L⋅mol-1⋅cm-1 75000
Excitation 533
Emission 554
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.
XLogP3 4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 541.0331219 g/mol
Monoisotopic Mass 541.0331219 g/mol
Topological Polar Surface Area 124Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 920
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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