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Tetrazine-PEG5-NHS ester
Catalog NumberCCR1682653800
CAS Number1682653-80-0
CategoryTetrazines
| Synonyms | Tetrazine-Ph-PEG5-NHS ester |
| IUPAC Name | (2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Molecular Weight | 604.6 |
| Molecular Formula | C27H36N6O10 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)NCC2=CC=C(C=C2)C3=NN=CN=N3 |
| InChI | InChI=1S/C27H36N6O10/c34-23(28-19-21-1-3-22(4-2-21)27-31-29-20-30-32-27)7-9-38-11-13-40-15-17-42-18-16-41-14-12-39-10-8-26(37)43-33-24(35)5-6-25(33)36/h1-4,20H,5-19H2,(H,28,34) |
| InChI Key | DUPHIQYIPUTDJS-UHFFFAOYSA-N |
| Application | IEDDA Click Reaction |
| Complexity | 823 |
| Exact Mass | 604.24929137 |
| Monoisotopic Mass | 604.24929137 |
| Topological Polar Surface Area | 191Ų |
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