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Fluorescein-PEG4-acid | CAS 1807518-76-8
| Catalog Number | F04-0022 |
| Category | Fluorescein FAM |
| Molecular Formula | C₃₂H₃₄N₂O₁₁S |
| Molecular Weight | 654.68 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
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
Product Specification
Computed Properties
| 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) |
| InChIKey | DSZDFOCKVIPCKO-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 | 1.9 |
| 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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