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Fluorescein-PEG5-NHS ester | CAS 2353409-62-6
| Catalog Number | F04-0019 |
| Category | Fluorescein FAM |
| Molecular Formula | C₃₈H₄₁N₃O₁₄S |
| Molecular Weight | 795.81 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Fluorescein-PEG5-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. Fluorescein-PEG5-NHS ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Flurescein-PEG5-NHS ester; 2,5-Dioxopyrrolidin-1-yl 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-oate |
| Purity | 95% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O |
| InChI | InChI=1S/C38H41N3O14S/c42-25-2-5-29-31(22-25)53-32-23-26(43)3-6-30(32)38(29)28-4-1-24(21-27(28)36(47)54-38)40-37(56)39-10-12-49-14-16-51-18-20-52-19-17-50-15-13-48-11-9-35(46)55-41-33(44)7-8-34(41)45/h1-6,21-23,42-43H,7-20H2,(H2,39,40,56) |
| InChIKey | SBHQUOCPGORZNI-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF, Acetonitrile |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 21 |
| Exact Mass | 795.23092416 g/mol |
| Monoisotopic Mass | 795.23092416 g/mol |
| Topological Polar Surface Area | 242Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 1320 |
| 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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