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6-TET Azide

CAT: 0931-T85514-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T85514-01Size:10 mg
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CAS Number
1450752-90-5
Target
Others
Related Pathways
Others
Bioactivity
6-TET Azide serves as a fluorescent probe, useful in developing fluorescent contrast agents and for nucleic acid sequencing [1].
Smiles
[N-]=[N+]=NCCCNC(=O)C1=CC(Cl)=C2C(=O)OC3(C4=CC(Cl)=C(O)C=C4OC5=CC(O)=C(Cl)C=C53)C2=C1Cl
Molecular Formula
C24H14Cl4N4O6
Molecular Weight
596.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TET azide, 6-isomer
CAS Number1450752-90-5
PubChem CID99940838
IUPAC NameN-(3-azidopropyl)-2',4,7,7'-tetrachloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
Molecular FormulaC24H14Cl4N4O6
Molecular Weight596.2
XLogP6.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity958
SMILES
C1=C(C(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl)Cl)C(=O)NCCCN=[N+]=[N-]
InChI
InChI=1S/C24H14Cl4N4O6/c25-12-5-10-17(7-15(12)33)37-18-8-16(34)13(26)6-11(18)24(10)20-19(23(36)38-24)14(27)4-9(21(20)28)22(35)30-2-1-3-31-32-29/h4-8,33-34H,1-3H2,(H,30,35)
InChIKey
SYCHFKJSIPYARI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TET azide, 6-isomer
CAS: 1450752-90-5
CID: 99940838
Formula: C24H14Cl4N4O6
MW: 596.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight596.2
XLogP36.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass595.963795
Monoisotopic Mass593.966745
Topological Polar Surface Area119 Ų
Heavy Atom Count38
Formal Charge0
Complexity958
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