HEX azide, 6-isomer | 1450752-91-6

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
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)
InChI Key	HGKPJGGICCDTJN-UHFFFAOYSA-N
Solubility	DMSO, DMF
Appearance	Orange solid

Computed Properties
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