N-(m-PEG4)-N'-(PEG3-Mal)-Cy5

Name: N-(m-PEG4)-N'-(PEG3-Mal)-Cy5
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	A17-0142
Category	Cyanine5
Molecular Formula	C₄₉H₆₇ClN₄O₁₀
Molecular Weight	907.53

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Product Introduction

N-(m-PEG4)-N'-(PEG3-Mal)-Cy5 is a polyethylene glycol (PEG)-based PROTAC linker. N-(m-PEG4)-N'-(PEG3-Mal)-Cy5 can be used in the synthesis of a series of PROTACs.

Chemical Information
Product Specification
Computed Properties

Purity	98%
IUPAC Name	3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide;chloride
Canonical SMILES	CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)C.[Cl-]
InChI	InChI=1S/C49H66N4O10.ClH/c1-48(2)39-13-9-11-15-41(39)51(24-27-59-32-35-62-34-31-58-26-22-50-45(54)21-23-53-46(55)19-20-47(53)56)43(48)17-7-6-8-18-44-49(3,4)40-14-10-12-16-42(40)52(44)25-28-60-33-36-63-38-37-61-30-29-57-5;/h6-20H,21-38H2,1-5H3;1H
InChIKey	KQINBUJCBKWMHU-UHFFFAOYSA-N
Solubility	Water, DMSO, DMF, DCM

Excitation	649
Emission	667
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.

Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	30
Exact Mass	906.4545720 g/mol
Monoisotopic Mass	906.4545720 g/mol
Topological Polar Surface Area	137Å²
Heavy Atom Count	64
Formal Charge	0
Complexity	1590
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