Fluorescein-PEG4-acid

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Fluorescein-PEG4-acid

Fluorescein-PEG4-acid | 1807518-76-8

Catalog Number F04-0022
Category Fluorescein FAM
Molecular Formula C₃₂H₃₄N₂O₁₁S
Molecular Weight 654.68
Catalog Number Size Price Quantity
F04-0022 -- $--

Product Introduction

Fluorescein-PEG4-acid is a polyethylene glycol (PEG)-based PROTAC linker. Fluorescein-PEG4-acid can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 1-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]-3,6,9,12-tetraoxapentadecan-15-oic acid; 3-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid; 4,7,10,13-Tetraoxa-16-azaheptadecanoic acid, 17-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-17-thioxo-
Purity 96%
IUPAC Name 3-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C1=CC2=C(C=C1NC(=S)NCCOCCOCCOCCOCCC(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI InChI=1S/C32H34N2O11S/c35-21-2-5-25-27(18-21)44-28-19-22(36)3-6-26(28)32(25)24-4-1-20(17-23(24)30(39)45-32)34-31(46)33-8-10-41-12-14-43-16-15-42-13-11-40-9-7-29(37)38/h1-6,17-19,35-36H,7-16H2,(H,37,38)(H2,33,34,46)
InChI Key DSZDFOCKVIPCKO-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.

Computed Properties

XLogP3 1.9
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 16
Exact Mass 654.18833108 g/mol
Monoisotopic Mass 654.18833108 g/mol
Topological Polar Surface Area 206Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 995
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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