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Product Introduction
Hexachlorofluorescein (HEX) is a hexachlorinated derivate of the fluorescent dye fluorescein. HEX-labeled oligonucleotides are used in PCR and the HEX channel is widely used in multiplex qPCR.,Oligonucleotides with a HEX label can be easily generated using HEX azide and alkyne-containing oligonucleotide via azide-alkyne cycloaddition.,HEX exhibits an excitation peak at 533 nm and an emission peak at 549 in green-yellow area, and it can serve as a substitute for JOE, BODIPY™ 530/550, VIC™ because of the similar spectral characteristics.
Chemical Information
Product Specification
Computed Properties
Synonyms |
6-Hexachloro-Fluorescein-Azide |
Purity |
NMR 1H, HPLC-MS (95%) |
IUPAC Name |
N-(3-azidopropyl)-2',4,4',5',7,7'-hexachloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxamide |
Canonical SMILES |
C1=C(C(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Cl)O)Cl)Cl)O)Cl)Cl)C(=O)NCCCN=[N+]=[N-] |
InChI |
InChI=1S/C24H12Cl6N4O6/c25-10-4-7(22(37)32-2-1-3-33-34-31)15(28)14-13(10)23(38)40-24(14)8-5-11(26)18(35)16(29)20(8)39-21-9(24)6-12(27)19(36)17(21)30/h4-6,35-36H,1-3H2,(H,32,37) |
InChIKey |
HGKPJGGICCDTJN-UHFFFAOYSA-N |
Solubility |
DMSO, DMF |
Appearance |
Orange solid |
CF260 |
0.30 |
CF280 |
0.13 |
Fluorescence Quantum Yield |
0.57 |
Mass Spec M+ Increment |
661.9 |
Excitation |
533 |
Emission |
549 |
Storage |
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 |
7.7 |
Hydrogen Bond Donor Count |
3 |
Hydrogen Bond Acceptor Count |
8 |
Rotatable Bond Count |
5 |
Exact Mass |
663.885850 g/mol |
Monoisotopic Mass |
661.888800 g/mol |
Topological Polar Surface Area |
119Ų |
Heavy Atom Count |
40 |
Formal Charge |
0 |
Complexity |
1020 |
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 |