Products for Research Use Only

Trisulfo-Cy5-Alkyne

CAT: 0013-GTR19285245-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19285245-01Size:5 mg
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Description
Trisulfo-Cy5-Alkyne is a near-infrared fluorescent dye containing an alkyne group for copper-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry. Its NIR emission is advantageous for in vivo imaging and in vitro labeling applications, facilitating sensitive detection in complex biological systems.
CAS Number
2055138-90-2
Molecular Weight
787.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trisulfo-Cy5-Alkyne
CAS Number2055138-90-2
PubChem CID146680154
IUPAC Name2-[(1E,3E,5E)-5-[3,3-dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate
Molecular FormulaC37H45N3O10S3
Molecular Weight788.0
XLogP3.3
Topological Polar Surface Area226
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Heavy Atom Count53
Formal Charge0
Complexity1840
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/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/C37H45N3O10S3/c1-6-21-38-35(41)16-11-8-12-22-39-31-19-17-27(52(45,46)47)25-29(31)36(2,3)33(39)14-9-7-10-15-34-37(4,5)30-26-28(53(48,49)50)18-20-32(30)40(34)23-13-24-51(42,43)44/h1,7,9-10,14-15,17-20,25-26H,8,11-13,16,21-24H2,2-5H3,(H3-,38,41,42,43,44,45,46,47,48,49,50)
InChIKey
DKRNQQAUDARDNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trisulfo-Cy5-Alkyne
CAS: 2055138-90-2
CID: 146680154
Formula: C37H45N3O10S3
MW: 788.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight788.0
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass787.22670816
Monoisotopic Mass787.22670816
Topological Polar Surface Area226 Ų
Heavy Atom Count53
Formal Charge0
Complexity1840
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