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6-HEX

CAT: 0931-T66330-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T66330-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155911-16-3
Target
Others
Related Pathways
Others
Purity
0.9967
Bioactivity
6-HEX is a fluorescent dye widely used in biochemistry for labeling nucleic acid sequences and real-time fluorescent quantitative PCR (qRT-PCR) assays with an excitation wavelength of 520 nm and an emission wavelength of 570 nm.
Smiles
O=C(O)C1=CC(Cl)=C2C(=O)OC3(C4=CC(Cl)=C(O)C(Cl)=C4OC5=C(Cl)C(O)=C(Cl)C=C53)C2=C1Cl
Molecular Formula
C21H6Cl6O7
Molecular Weight
582.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2',4,4',5',7,7'-Hexachloro-3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthene)-6-carboxylic acid
CAS Number155911-16-3
PubChem CID10188533
IUPAC Name2',4,4',5',7,7'-hexachloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
Molecular FormulaC21H6Cl6O7
Molecular Weight583.0
XLogP6.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity829
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)O
InChI
InChI=1S/C21H6Cl6O7/c22-7-1-4(19(30)31)12(25)11-10(7)20(32)34-21(11)5-2-8(23)15(28)13(26)17(5)33-18-6(21)3-9(24)16(29)14(18)27/h1-3,28-29H,(H,30,31)
InChIKey
AFBUYXUHQACBAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',4,4',5',7,7'-Hexachloro-3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthene)-6-carboxylic acid
CAS: 155911-16-3
CID: 10188533
Formula: C21H6Cl6O7
MW: 583.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight583.0
XLogP36.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass581.821519
Monoisotopic Mass579.824469
Topological Polar Surface Area113 Ų
Heavy Atom Count34
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes