Cy5-PEG6-acid

Name: Cy5-PEG6-acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Product Introduction

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

Purity	96%
IUPAC Name	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]propanoic acid;chloride
SMILES	CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O)(C)C)C)C.[Cl-]
InChI	InChI=1S/C47H67N3O9.ClH/c1-46(2)38-16-11-13-18-40(38)49(5)42(46)20-8-6-9-21-43-47(3,4)39-17-12-14-19-41(39)50(43)25-15-7-10-22-44(51)48-24-27-55-29-31-57-33-35-59-37-36-58-34-32-56-30-28-54-26-23-45(52)53;/h6,8-9,11-14,16-21H,7,10,15,22-37H2,1-5H3,(H-,48,51,52,53);1H
InChIKey	RKXHCQAKWSZSPM-UHFFFAOYSA-N
Solubility	Water, DMSO, DMF, DCM

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

Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	30
Exact Mass	853.4644084 g/mol
Monoisotopic Mass	853.4644084 g/mol
Topological Polar Surface Area	128Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1380
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