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

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