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TCO-PEG3-NHS ester
| Catalog Number | CCR2141981884 |
| CAS | 2141981-88-4 |
| IUPAC Name | (2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate |
| Molecular Weight | 470.5 |
| Molecular Formula | C22H34N2O9 |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O |
| InChI | InChI=1S/C22H34N2O9/c25-19-8-9-20(26)24(19)33-21(27)10-12-29-14-16-31-17-15-30-13-11-23-22(28)32-18-6-4-2-1-3-5-7-18/h1-2,18H,3-17H2,(H,23,28)/b2-1- |
| InChI Key | BLPWLRIVXKTLNU-UPHRSURJSA-N |
| Density | 1.24±0.1 g/cm3(Predicted) |
| Solubility | Soluble in DMSO, DCM, DMF |
| Application | IEDDA Click Reaction |
| Complexity | 652 |
| Exact Mass | 470.22643067 |
| Isomeric SMILES | C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O |
| Monoisotopic Mass | 470.22643067 |
| pKa | 11.95±0.46(Predicted) |
| Topological Polar Surface Area | 130Ų |
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