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Sulfo-Cy5.5 Azide

CAT: 0013-GTR19289268-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19289268-01Size:5 mg
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Description
Sulfo-Cy5.5 Azide is a water-soluble, near-infrared fluorescent dye containing an azide group for bioorthogonal click chemistry labeling. Its excitation/emission at 673/707 nm makes it suitable for in vivo imaging and in vitro assays, including tracking proteins, peptides, and oligonucleotides in complex biological systems.
CAS Number
1955527-41-9
Molecular Weight
999.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sulfo-Cy5.5 Azide
CAS Number1955527-41-9
PubChem CID86580420
IUPAC Name3-[6-(3-azidopropylamino)-6-oxohexyl]-2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-8-sulfobenzo[e]indol-3-ium-6-sulfonate
Molecular FormulaC44H50N6O13S4
Molecular Weight999.2
XLogP5.6
Topological Polar Surface Area304
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count17
Heavy Atom Count67
Formal Charge0
Complexity2470
SMILES
CCN\1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(/C1=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)[O-])CCCCCC(=O)NCCCN=[N+]=[N-])(C)C
InChI
InChI=1S/C44H50N6O13S4/c1-6-49-34-19-17-30-32(24-28(64(52,53)54)26-36(30)66(58,59)60)41(34)43(2,3)38(49)14-9-7-10-15-39-44(4,5)42-33-25-29(65(55,56)57)27-37(67(61,62)63)31(33)18-20-35(42)50(39)23-12-8-11-16-40(51)46-21-13-22-47-48-45/h7,9-10,14-15,17-20,24-27H,6,8,11-13,16,21-23H2,1-5H3,(H4-,46,51,52,53,54,55,56,57,58,59,60,61,62,63)
InChIKey
BQFSLMCVGRFHSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfo-Cy5.5 Azide
CAS: 1955527-41-9
CID: 86580420
Formula: C44H50N6O13S4
MW: 999.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight999.2
XLogP35.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count17
Exact Mass998.23187036
Monoisotopic Mass998.23187036
Topological Polar Surface Area304 Ų
Heavy Atom Count67
Formal Charge0
Complexity2470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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