Cy5-PEG6-acid

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Cy5-PEG6-acid

Cy5-PEG6-acid

Catelog Number A17-0176
Category Cyanine5
Molecular Formula C₄₇H₆₈ClN₃O₉
Molecular Weight 854.51
Catalog Number Size Price Quantity
A17-0176 -- $--

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.

Chemical Information

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
Canonical 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
InChI Key RKXHCQAKWSZSPM-UHFFFAOYSA-N
Solubility Water, 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 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 128Ų
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
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