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Azido-PEG4-Amido-tri-(t-butoxycarbonylethoxymethyl)-methane | CAS 1421933-29-0
| Catalog Number | R14-0041 |
| Category | Azides |
| Molecular Formula | C36H66N4O14 |
| Molecular Weight | 778.94 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Azido-PEG4-Amido-tri-(t-butoxycarbonylethoxymethyl)-methane is a branched PEG derivative with a terminal azide group and three t-butyl esters. The azide group enables PEGylation via Click Chemistry. The t-butyl protected carboxyl groups can be deprotected under mild acidic conditions.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | tert-butyl 1-azido-17,17-bis((3-(tert-butoxy)-3-oxopropoxy)methyl)-15-oxo-3,6,9,12,19-pentaoxa-16-azadocosan-22-oate; 3-[2-[3-(2-(2-[2-(2-Azido-ethoxy)-ethoxy]-ethoxy)-ethoxy)-propionylamino]-3-(2-tert-butoxycarbonyl-ethoxy)-2-(2-tert-butoxycarbonyl-ethoxymethyl)-propoxy]-propionic acid tert-butyl ester; 2-Methyl-2-propanyl 1-azido-17,17-bis({3-[(2-methyl-2-propanyl)oxy]-3-oxopropoxy}methyl)-15-oxo-3,6,9,12,19-pentaoxa-16-azadocosan-22-oate; 3,6,9,12,19-Pentaoxa-16-azadocosan-22-oic acid, 1-azido-17,17-bis[[3-(1,1-dimethylethoxy)-3-oxopropoxy]methyl]-15-oxo-, 1,1-dimethylethyl ester; WUN 33290; WUN-33290; WUN33290 |
| Purity | ≥95% |
| IUPAC Name | tert-butyl 3-[2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C36H66N4O14/c1-33(2,3)52-30(42)11-16-49-26-36(27-50-17-12-31(43)53-34(4,5)6,28-51-18-13-32(44)54-35(7,8)9)39-29(41)10-15-45-20-22-47-24-25-48-23-21-46-19-14-38-40-37/h10-28H2,1-9H3,(H,39,41) |
| InChIKey | WXDPDERWOTZNLB-UHFFFAOYSA-N |
| Solubility | Soluble in DMSO |
| Appearance | Yellowish Oily Matter |
| Storage | Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years) |
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 37 |
| Exact Mass | 778.45755279 g/mol |
| Monoisotopic Mass | 778.45755279 g/mol |
| Topological Polar Surface Area | 187Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1020 |
| 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 |
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022265493-A1 | Conjugate of saponin, oligonucleotide and galnac | 2021-06-18 |
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