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endo-BCN-PEG12-NHS ester | CAS 2183440-26-6
| Catalog Number | R16-0021 |
| Category | BCN Reagents |
| Molecular Formula | C42H70N2O18 |
| Molecular Weight | 891.0 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
endo-BCN-PEG12-NHS ester is a aqueous soluble PEG linker containing an NHS ester group and a BCN group. It can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules. The BCN group enable copper free click chemistry with azide-attached molecules.
Chemical Information
Product Specification
Computed Properties
| Synonyms | (2,5-Dioxopyrrolidin-1-yl) 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]; 2,5-dioxopyrrolidin-1-yl 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-oate |
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 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]propanoate |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1 |
| InChI | InChI=1S/C42H70N2O18/c45-39-7-8-40(46)44(39)62-41(47)9-11-49-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-34-60-32-30-58-28-26-56-24-22-54-20-18-52-16-14-50-12-10-43-42(48)61-35-38-36-5-3-1-2-4-6-37(36)38/h36-38H,3-35H2,(H,43,48) |
| InChIKey | IBETWWKNNXABHK-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 44 |
| Exact Mass | 890.46236339 g/mol |
| Monoisotopic Mass | 890.46236339 g/mol |
| Topological Polar Surface Area | 213Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1230 |
| 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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