JOE alkyne, 6-isomer

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JOE alkyne, 6-isomer

JOE alkyne, 6-isomer

Catelog Number R02-0028
Category JOE
Molecular Formula C26H17NCl2O8
Molecular Weight 542.32
Catalog Number Size Price Quantity
R02-0028 -- $--

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

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)
InChI Key FITDEERKHNKYNG-UHFFFAOYSA-N
Solubility good in DMF, DMSO
Appearance orange solid

Product Specification

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.

Computed Properties

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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