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BCN-PEG4-NHS ester
| Catalog Number | CCR1702356191 |
| CAS | 1702356-19-1 |
| Synonyms | BCN-endo-PEG4-SPA |
| IUPAC Name | (2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Molecular Weight | 538.6 |
| Molecular Formula | C26H38N2O10 |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1 |
| InChI | InChI=1S/C26H38N2O10/c29-23-7-8-24(30)28(23)38-25(31)9-11-33-13-15-35-17-18-36-16-14-34-12-10-27-26(32)37-19-22-20-5-3-1-2-4-6-21(20)22/h20-22H,3-19H2,(H,27,32)/t20-,21+,22? |
| InChI Key | MFQCOKMBYCIQEJ-CBQGHPETSA-N |
| Density | 1.28±0.1 g/cm3(Predicted) |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 833 |
| Exact Mass | 538.25264541 |
| Isomeric SMILES | C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1 |
| Monoisotopic Mass | 538.25264541 |
| pKa | 12.05±0.46(Predicted) |
| Topological Polar Surface Area | 139Ų |
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