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endo-BCN-PEG12-acid | 2183440-27-7
| Catalog Number | R16-0014 |
| Category | BCN Reagents |
| Molecular Formula | C38H67NO16 |
| Molecular Weight | 794.0 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R16-0014 | -- | $-- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
endo-BCN-PEG12-acid is amonodisperse PEG reagent containing a BCN group and a terminal carboxylic acid. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The BCN group enable click chemistry with azide -tagged molecules. The hydrophilic PEG spacer increases solubility in aqueous media.
- Chemical Information
- Product Specification
| Synonyms | 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxa-4-azatritetracontan-43-oic acid |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)CCC#C1 |
| InChI | InChI=1S/C38H67NO16/c40-37(41)7-9-43-11-13-45-15-17-47-19-21-49-23-25-51-27-29-53-31-32-54-30-28-52-26-24-50-22-20-48-18-16-46-14-12-44-10-8-39-38(42)55-33-36-34-5-3-1-2-4-6-35(34)36/h34-36H,3-33H2,(H,39,42)(H,40,41) |
| InChI Key | VLDILOCSPCYAIX-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
Computed Properties | |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 42 |
| Exact Mass | 793.44598505 g/mol |
| Monoisotopic Mass | 793.44598505 g/mol |
| Topological Polar Surface Area | 186Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 961 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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