Fluorescein-PEG6-NHS ester

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Fluorescein-PEG6-NHS ester

Fluorescein-PEG6-NHS ester | CAS 1818294-35-7

Catalog Number F04-0018
Category Fluorescein FAM
Molecular Formula C₄₀H₄₅N₃O₁₅S
Molecular Weight 839.86
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Product Introduction

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

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

Synonyms 2,5-Dioxopyrrolidin-1-yl 1-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oate; 4,7,10,13,16,19-Hexaoxa-22-azatricosanoic acid, 23-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-23-thioxo-, 2,5-dioxo-1-pyrrolidinyl ester
Purity 95%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O
InChI InChI=1S/C40H45N3O15S/c44-27-2-5-31-33(24-27)56-34-25-28(45)3-6-32(34)40(31)30-4-1-26(23-29(30)38(49)57-40)42-39(59)41-10-12-51-14-16-53-18-20-55-22-21-54-19-17-52-15-13-50-11-9-37(48)58-43-35(46)7-8-36(43)47/h1-6,23-25,44-45H,7-22H2,(H2,41,42,59)
InChIKey JRSZEPYWIPLVEA-UHFFFAOYSA-N
Solubility Water, DMSO, DMF, DCM

Product Specification

Excitation 494
Emission 517
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Application

Computed Properties

XLogP3 1.1
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 24
Exact Mass 839.25713891 g/mol
Monoisotopic Mass 839.25713891 g/mol
Topological Polar Surface Area 251Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 1370
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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