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N-(Azido-PEG3)-N-Fluorescein-PEG3-acid | 2100306-50-9
| Catalog Number | R14-0006 |
| Category | Azides |
| Molecular Formula | C₃₈H₄₅N₅O₁₃S |
| Molecular Weight | 811.85 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0006 | -- | $-- |
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Product Introduction
N-(Azido-PEG3)-N-Fluorescein-PEG3-acid is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-Fluorescein-PEG3-acid can be used in the synthesis of a series of PROTACs.
Chemical Information |
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|---|---|
| Synonyms | 1-azido-12-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)carbamothioyl)-3,6,9,15,18,21-hexaoxa-12-azatetracosan-24-oic acid; 3-[2-(2-{2-[12-azido-1-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)-4,7,10-trioxa-1-azadodecan-1-yl]ethoxy}ethoxy)ethoxy]propanoic acid; 4,7,10-Trioxa-13-azatetradecanoic acid, 13-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-14-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-14-thioxo- |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1=CC2=C(C=C1NC(=S)N(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-])C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O |
| InChI | InChI=1S/C38H45N5O13S/c39-42-40-8-12-50-16-20-54-22-18-52-14-10-43(9-13-51-17-21-53-19-15-49-11-7-35(46)47)37(57)41-26-1-4-30-29(23-26)36(48)56-38(30)31-5-2-27(44)24-33(31)55-34-25-28(45)3-6-32(34)38/h1-6,23-25,44-45H,7-22H2,(H,41,57)(H,46,47) |
| InChI Key | VGMWZPOXYYJXCA-UHFFFAOYSA-N |
- Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 25 |
| Exact Mass | 811.27345768 g/mol |
| Monoisotopic Mass | 811.27345768 g/mol |
| Topological Polar Surface Area | 230Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1290 |
| 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 |
Applications of Fluorescent Probes & Dyes
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