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Cy3-PEG2-endo-BCN

CAT: 0804-HY-155327-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155327-01Size:5 mg
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Description
Cy3-PEG2-endo-BCN is a dye derivative of Cyanine 3 (Cy3) containing 2 PEG units. Cy3-PEG2-endo-BCN contains the lyophilic bidentate macrocyclic ligand endo-BCN, which can further synthesize macrocyclic complexes. In click chemistry, endo-BCN can react with molecules containing azide groups to form stable triazoles in the absence of catalysts.
CAS Number
1663449-60-2
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cy3-peg2-endo-bcn.html
Purity
96.2
Solubility
10 mM in DMSO
Smiles
CC1(C)C2=CC=CC=C2[N+](CCCCCC(NCCOCCOCCNC(OC[C@H]3[C@]4([H])[C@@]3([H])CCC#CCC4)=O)=O)=C1/C=C/C=C5N(C6=CC=CC=C6C\5(C)C)C.[Cl-]
Molecular Formula
C47H63ClN4O5
Molecular Weight
799.48
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Cy3-PEG2-endo-BCN
CAS Number1663449-60-2
PubChem CID169450305
IUPAC Name[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoylamino]ethoxy]ethoxy]ethyl]carbamate chloride
Molecular FormulaC47H63ClN4O5
Molecular Weight799.5
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count20
Heavy Atom Count57
Formal Charge0
Complexity1480
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/3\C(C4=CC=CC=C4N3CCCCCC(=O)NCCOCCOCCNC(=O)OCC5[C@H]6[C@@H]5CCC#CCC6)(C)C)C)C.[Cl-]
InChI
InChI=1S/C47H62N4O5.ClH/c1-46(2)38-20-12-14-22-40(38)50(5)42(46)24-17-25-43-47(3,4)39-21-13-15-23-41(39)51(43)29-16-8-11-26-44(52)48-27-30-54-32-33-55-31-28-49-45(53)56-34-37-35-18-9-6-7-10-19-36(35)37;/h12-15,17,20-25,35-37H,8-11,16,18-19,26-34H2,1-5H3,(H-,48,49,52,53);1H/t35-,36+,37?;
InChIKey
NPJOVZIYCMDQAT-JRBVSPJESA-N
Chemical Structure
2D Structure
2D structure of Cy3-PEG2-endo-BCN
CAS: 1663449-60-2
CID: 169450305
Formula: C47H63ClN4O5
MW: 799.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight799.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count20
Exact Mass798.4486988
Monoisotopic Mass798.4486988
Topological Polar Surface Area92.1 Ų
Heavy Atom Count57
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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