Fluorescein-PEG5-acid

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Fluorescein-PEG5-acid

Fluorescein-PEG5-acid | 2183440-40-4

Catelog 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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