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Cy5-NHS ester

CAT: 0926-TFC47085-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-TFC47085-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1393470-85-3
Smiles
CC1 (C2=CC=CC=C2[N+] (=C1C=CC=CC=C3C (C4=CC=CC=C4N3CCCCCC (=O) ON5C (=O) CCC5=O) (C) C) C) C.[Cl-]
Molecular Formula
C36H42ClN3O4
Molecular Weight
616.2 g/mol
Controlled
No

Chemical Information

Cyanine5 NHS ester (chloride)
CAS Number1393470-85-3
PubChem CID86276409
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoate chloride
Molecular FormulaC36H42ClN3O4
Molecular Weight616.2
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity1190
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C.[Cl-]
InChI
InChI=1S/C36H42N3O4.ClH/c1-35(2)26-16-11-13-18-28(26)37(5)30(35)20-8-6-9-21-31-36(3,4)27-17-12-14-19-29(27)38(31)25-15-7-10-22-34(42)43-39-32(40)23-24-33(39)41;/h6,8-9,11-14,16-21H,7,10,15,22-25H2,1-5H3;1H/q+1;/p-1
InChIKey
WYDRTLYIBJFWFL-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Cyanine5 NHS ester (chloride)
CAS: 1393470-85-3
CID: 86276409
Formula: C36H42ClN3O4
MW: 616.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass615.2863845
Monoisotopic Mass615.2863845
Topological Polar Surface Area69.9 Ų
Heavy Atom Count44
Formal Charge0
Complexity1190
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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Alternative Products

CatalogName
ABC-BR0070Cy5 NHS Ester
TRC-C139340-25MGCy5-NHS ester
CHM-235-1mgCy5, NHS Ester
CHM-241-1mgCy5.5, NHS Ester
MBS5770608Cy5-PEG6-NHS ester
A8773-25Cy5 Bis NHS ester
A8769-25Cy5 NHS ester(Et)
CHM-209-5mgSulfo-Cy5, NHS Ester
CHM-05097-1mgSulfo-Cy5 NHS Ester
CA2160Cy5.5 NHS Ester

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