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Cyanine 5 Tyramide

CAT: 1489-C3090Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1489-C3090Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1431148-26-3
Purity
95%

Chemical Information

Cy5 Tyramide
CAS Number1431148-26-3
PubChem CID146018934
IUPAC Name1-ethyl-2-[5-[1-[6-[2-(4-hydroxyphenyl)ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonate
Molecular FormulaC41H49N3O8S2
Molecular Weight776.0
XLogP5.9
Topological Polar Surface Area184
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count54
Formal Charge0
Complexity1650
SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)NCCC5=CC=C(C=C5)O)(C)C
InChI
InChI=1S/C41H49N3O8S2/c1-6-43-35-22-20-31(53(47,48)49)27-33(35)40(2,3)37(43)13-9-7-10-14-38-41(4,5)34-28-32(54(50,51)52)21-23-36(34)44(38)26-12-8-11-15-39(46)42-25-24-29-16-18-30(45)19-17-29/h7,9-10,13-14,16-23,27-28H,6,8,11-12,15,24-26H2,1-5H3,(H3-,42,45,46,47,48,49,50,51,52)
InChIKey
NHSJCIBSNKLAMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cy5 Tyramide
CAS: 1431148-26-3
CID: 146018934
Formula: C41H49N3O8S2
MW: 776.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight776.0
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass775.29610788
Monoisotopic Mass775.29610788
Topological Polar Surface Area184 Ų
Heavy Atom Count54
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes