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2-(Azido-PEG3-amido)-1,3-bis(NHS Ester) | CAS 2320560-36-7
| Catalog Number | R14-0061 |
| Category | Azides |
| Molecular Formula | C26H38N6O14 |
| Molecular Weight | 658.6 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
2-(Azido-PEG3-amido)-1,3-bis(NHS Ester) is a branched PEGylation reagent. The azide groups enable PEGylation via Click Chemistry. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules. The PEG spacer allows for enhanced hydrophilic properties.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2,5-dioxopyrrolidin-1-yl 3-[2-(3-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}propanamido)-3-{3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropoxy}propoxy]propanoate |
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propoxy]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCC(COCCC(=O)ON2C(=O)CCC2=O)NC(=O)CCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C26H38N6O14/c27-30-28-8-12-41-14-16-42-15-13-40-9-5-20(33)29-19(17-43-10-6-25(38)45-31-21(34)1-2-22(31)35)18-44-11-7-26(39)46-32-23(36)3-4-24(32)37/h19H,1-18H2,(H,29,33) |
| InChIKey | IKNSPJWCHQONRB-UHFFFAOYSA-N |
| Solubility | DCM |
| Storage | -20 °C |
| XLogP3 | -2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 27 |
| Exact Mass | 658.24459991 g/mol |
| Monoisotopic Mass | 658.24459991 g/mol |
| Topological Polar Surface Area | 217Ų |
| Heavy Atom Count | 46 |
| 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 |
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