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Trisulfo-Cy3-Alkyne

CAT: 0013-GTR19285249-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19285249-01Size:5 mg
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Description
Trisulfo-Cy3-Alkyne is a bright, water-soluble fluorophore featuring an alkyne group for copper-catalyzed click chemistry conjugation with azides. Its high stability and sensitivity make it suitable for in vitro and in vivo imaging, as well as for detecting bioconjugates in gel-based assays at nanomolar concentrations.
CAS Number
1895849-34-9
Molecular Weight
761.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(E,3E)-3-[3,3-Dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate
CAS Number1895849-34-9
PubChem CID146680150
IUPAC Name2-[(E,3E)-3-[3,3-dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate
Molecular FormulaC35H43N3O10S3
Molecular Weight761.9
XLogP2.7
Topological Polar Surface Area226
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count51
Formal Charge0
Complexity1760
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCC#C)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C
InChI
InChI=1S/C35H43N3O10S3/c1-6-19-36-33(39)14-8-7-9-20-37-29-17-15-25(50(43,44)45)23-27(29)34(2,3)31(37)12-10-13-32-35(4,5)28-24-26(51(46,47)48)16-18-30(28)38(32)21-11-22-49(40,41)42/h1,10,12-13,15-18,23-24H,7-9,11,14,19-22H2,2-5H3,(H3-,36,39,40,41,42,43,44,45,46,47,48)
InChIKey
VEADRQSXKLRTGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(E,3E)-3-[3,3-Dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate
CAS: 1895849-34-9
CID: 146680150
Formula: C35H43N3O10S3
MW: 761.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight761.9
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass761.21105810
Monoisotopic Mass761.21105810
Topological Polar Surface Area226 Ų
Heavy Atom Count51
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T80936-01Trisulfo-Cy3-acid disodium
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T208406-01Trisulfo-Cy3 amine disodium
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