Cy5-PEG6-NHS ester

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Cy5-PEG6-NHS ester

Cy5-PEG6-NHS ester

Catelog Number A17-0167
Category Cyanine5
Molecular Formula C₅₁H₇₁ClN₄O₁₁
Molecular Weight 951.58
Catalog Number Size Price Quantity
A17-0167 -- $--

Product Introduction

Cy5-PEG6-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. Cy5-PEG6-NHS ester can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 1-(1-((2,5-dioxopyrrolidin-1-yl)oxy)-1,23-dioxo-4,7,10,13,16,19-hexaoxa-22-azaoctacosan-28-yl)-3,3-dimethyl-2-((1E,3E)-5-((E)-1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium chloride
Purity 96%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C.[Cl-]
InChI InChI=1S/C51H70N4O11.ClH/c1-50(2)40-16-11-13-18-42(40)53(5)44(50)20-8-6-9-21-45-51(3,4)41-17-12-14-19-43(41)54(45)27-15-7-10-22-46(56)52-26-29-61-31-33-63-35-37-65-39-38-64-36-34-62-32-30-60-28-25-49(59)66-55-47(57)23-24-48(55)58;/h6,8-9,11-14,16-21H,7,10,15,22-39H2,1-5H3;1H
InChI Key LRPAXAJJSGVXEK-UHFFFAOYSA-N
Solubility DMSO, DMF, DCM

Product Specification

Excitation 646
Emission 662
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 32
Exact Mass 950.4807868 g/mol
Monoisotopic Mass 950.4807868 g/mol
Topological Polar Surface Area 154Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 1660
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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