Fluorescein-PEG5-acid

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Fluorescein-PEG5-acid

Fluorescein-PEG5-acid | 2183440-40-4

Catalog Number F04-0021
Category Fluorescein FAM
Molecular Formula C₃₄H₃₈N₂O₁₂S
Molecular Weight 698.74
Catalog Number Size Price Quantity
F04-0021 -- $--

Product Introduction

Fluorescein-PEG5-acid is a polyethylene glycol (PEG)-based PROTAC linker. Fluorescein-PEG5-acid can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 1-((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-1-thioxo-5,8,11,14,17-pentaoxa-2-azaicosan-20-oic acid; 1-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]-3,6,9,12,15-pentaoxaoctadecan-18-oic acid
Purity 98%
IUPAC Name 3-[2-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C1=CC2=C(C=C1NC(=S)NCCOCCOCCOCCOCCOCCC(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI InChI=1S/C34H38N2O12S/c37-23-2-5-27-29(20-23)47-30-21-24(38)3-6-28(30)34(27)26-4-1-22(19-25(26)32(41)48-34)36-33(49)35-8-10-43-12-14-45-16-18-46-17-15-44-13-11-42-9-7-31(39)40/h1-6,19-21,37-38H,7-18H2,(H,39,40)(H2,35,36,49)
InChI Key CYVBKXKXVSETJX-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 1.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 19
Exact Mass 698.21454583 g/mol
Monoisotopic Mass 698.21454583 g/mol
Topological Polar Surface Area 216Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1040
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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