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Fluorescein-PEG5-acid | CAS 2183440-40-4
| Catalog Number | F04-0021 |
| Category | Fluorescein FAM |
| Molecular Formula | C₃₄H₃₈N₂O₁₂S |
| Molecular Weight | 698.74 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
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
Product Specification
Computed Properties
| 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) |
| InChIKey | CYVBKXKXVSETJX-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 | 1.8 |
| 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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