Fluorescein-PEG4-acid

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Fluorescein-PEG4-acid

Fluorescein-PEG4-acid | 1807518-76-8

Catelog 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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