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Cy5.5 bis-COOH (bromide)

CAT: 0804-HY-D3013-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D3013-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cy5.5 bis-COOH bromide is a derivative of Cy5.5 dye. Sulfo Cy5.5 bis-COOH bromide contains carboxyl groups, which can condense ammonia to form covalent bonds (Ex/Em = 680/710 nm).
CAS Number
2756733-39-6
UNSPSC
12352005
Target
Fluorescent Dye
Related Pathways
Others
Field of Research
Others
Purity
97.05
Smiles
CC1(C2=C(C=CC3=CC=CC=C32)[N+](CCCCCC(O)=O)=C1/C=C/C=C/C=C4N(C5=C(C6=CC=CC=C6C=C5)C/4(C)C)CCCCCC(O)=O)C.[Br-]
Molecular Formula
C45H51BrN2O4
Molecular Weight
763.80
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Cy5.5 bis-COOH bromide
CAS Number2756733-39-6
PubChem CID176391170
IUPAC Name6-[(2E)-2-[(2E,4E)-5-[3-(5-carboxypentyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]hexanoic acid bromide
Molecular FormulaC45H51BrN2O4
Molecular Weight763.8
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count52
Formal Charge0
Complexity1260
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCCC(=O)O)/C=C/C=C/C=C/4\C(C5=C(N4CCCCCC(=O)O)C=CC6=CC=CC=C65)(C)C)C.[Br-]
InChI
InChI=1S/C45H50N2O4.BrH/c1-44(2)38(46(30-16-6-10-24-40(48)49)36-28-26-32-18-12-14-20-34(32)42(36)44)22-8-5-9-23-39-45(3,4)43-35-21-15-13-19-33(35)27-29-37(43)47(39)31-17-7-11-25-41(50)51;/h5,8-9,12-15,18-23,26-29H,6-7,10-11,16-17,24-25,30-31H2,1-4H3,(H-,48,49,50,51);1H
InChIKey
HBZHWQVHWQPHRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cy5.5 bis-COOH bromide
CAS: 2756733-39-6
CID: 176391170
Formula: C45H51BrN2O4
MW: 763.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight763.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass762.30322
Monoisotopic Mass762.30322
Topological Polar Surface Area80.9 Ų
Heavy Atom Count52
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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