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Propargyl-PEG4-5-nitrophenyl carbonate | CAS 1422540-81-5
| Catalog Number | R01-0127 |
| Category | Alkynes |
| Molecular Formula | C₁₈H₂₃NO₉ |
| Molecular Weight | 397.38 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG4-5-nitrophenyl carbonate is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG4-5-nitrophenyl carbonate can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 4-Nitrophenyl 3,6,9,12-tetraoxapentadec-14-ynyl carbonate; 4-nitrophenyl (3,6,9,12-tetraoxapentadec-14-yn-1-yl) carbonate; PROPARGYL-PEG4-5-NITROPHENYLCARBONATE; 4-Nitrophenyl 2-(2-(prop-2-ynyloxy)-PEG4 carbonate; 4-Nitrophenyl3,6,9,12-tetraoxapentadec-14-ynylcarbonate; 4-nitrophenyl 3,6,9,12-tetraoxapentadec-14-yn-1-yl carbonate; (4-nitrophenyl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbonate; Carbonic acid O-(4-nitrophenyl)O-[2-[2-[2-[2-(propargyloxy)ethoxy]ethoxy]ethoxy]ethyl] ester |
| Purity | 95% |
| IUPAC Name | (4-nitrophenyl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbonate |
| Canonical SMILES | C#CCOCCOCCOCCOCCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChI | InChI=1S/C18H23NO9/c1-2-7-23-8-9-24-10-11-25-12-13-26-14-15-27-18(20)28-17-5-3-16(4-6-17)19(21)22/h1,3-6H,7-15H2 |
| InChIKey | BRQWRLYCHVNDKS-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 16 |
| Exact Mass | 397.13728131 g/mol |
| Monoisotopic Mass | 397.13728131 g/mol |
| Topological Polar Surface Area | 118Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 477 |
| 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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