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TCO-PEG4-DBCO
| Catalog Number | CCR1801863886 |
| CAS | 1801863-88-6 |
| Synonyms | (4E)-TCO-PEG4-DBCO |
| IUPAC Name | [(4Z)-Cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Molecular Weight | 675.81 |
| Molecular Formula | C38H49N3O8 |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C38H49N3O8/c42-36(39-20-18-37(43)41-30-33-12-7-6-10-31(33)16-17-32-11-8-9-15-35(32)41)19-22-45-24-26-47-28-29-48-27-25-46-23-21-40-38(44)49-34-13-4-2-1-3-5-14-34/h1-2,6-12,15,34H,3-5,13-14,18-30H2,(H,39,42)(H,40,44)/b2-1- |
| InChI Key | MXNJAXPSMJDOOY-UPHRSURJSA-N |
| Boiling Point | 891.1±65.0 °C(Predicted) |
| Purity | 99%+ |
| Density | 1.22±0.1 g/cm3(Predicted) |
| Solubility | Soluble in partially water soluble, DMSO, DCM, DMF |
| Appearance | Oil |
| Application | IEDDA Click Reaction |
| Complexity | 1090 |
| Exact Mass | 675.35196553 |
| Isomeric SMILES | C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| Monoisotopic Mass | 675.35196553 |
| pKa | 11.95±0.46(Predicted) |
| Topological Polar Surface Area | 125Ų |
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