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Chemical structure of Cy5-DBCO

GC64831

Cy5-DBCO

Also known as 1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(1E,3E,5E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate

Cy5-DBCO (DBCO-Sulfo-Cy5) is a near-infrared (NIR)?red fluorescent dye with λabs?and λem of ?646?nm and 670 nm, respectively

ChemicalCAS1564286-24-3MW1009.22FormulaC52H56N4O11S3
CAS number
1564286-24-3
Molecular weight
1009.22
Formula
C52H56N4O11S3
Solubility
DMSO ： 62·5 mg/mL (61·93 mM; Need ultrasonic); H2O ： ≥ 10 mg/mL (9·91 mM)
InChIKey
LQHUKJFMCCLWEL-UHFFFAOYSA-N
Catalogue number
GC64831
Brand
GLPBIO
Computed properties PubChem CID 136374347 · XLogP 5.8 · TPSA 247 Ų · H-bond donors 3
XLogP
5.8
TPSA
247 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
17
Heavy atoms
70

SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C)CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C

Computed descriptors from PubChem (CID 136374347), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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