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DiO (DiOC18 (3) ) 100mg

CAT: 0628-A24537-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A24537-100Size:100 mg
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CAS Number
34215-57-1

Chemical Information

3,3'-Dioctadecyloxacarbocyanine perchlorate

DiOC18(3) dye is a Cy3 dye, a member of 1,3-benzoxazoles and an organic perchlorate salt. It has a role as a fluorochrome. It contains a diOC18(3)(1+).

CAS Number34215-57-1
PubChem CID5706734
IUPAC Name(2Z)-3-octadecyl-2-[(E)-3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole perchlorate
Molecular FormulaC53H85ClN2O6
Molecular Weight881.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count36
Heavy Atom Count62
Formal Charge0
Complexity1020
SMILES
CCCCCCCCCCCCCCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCCCCCCCCCCCCCC.[O-]Cl(=O)(=O)=O
InChI
InChI=1S/C53H85N2O2.ClHO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-54-48-40-33-35-42-50(48)56-52(54)44-39-45-53-55(49-41-34-36-43-51(49)57-53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)5/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
GFZPJHFJZGRWMQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 3,3'-Dioctadecyloxacarbocyanine perchlorate
CAS: 34215-57-1
CID: 5706734
Formula: C53H85ClN2O6
MW: 881.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight881.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count36
Exact Mass880.6096161
Monoisotopic Mass880.6096161
Topological Polar Surface Area104 Ų
Heavy Atom Count62
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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