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Oleic-DBCO
| Catalog Number | CCR2279951787 |
| CAS | 2279951-78-7 |
| IUPAC Name | (Z)-N-[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]octadec-9-enamide |
| Molecular Weight | 540.78 |
| Molecular Formula | C36H48N2O2 |
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C36H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-35(39)37-29-28-36(40)38-30-33-23-18-17-21-31(33)26-27-32-22-19-20-24-34(32)38/h9-10,17-24H,2-8,11-16,25,28-30H2,1H3,(H,37,39)/b10-9- |
| InChI Key | XQWJKAQVIAJNTR-KTKRTIGZSA-N |
| Solubility | Soluble in DMSO, DCM, DMF |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 821 |
| Exact Mass | 540.37157878 |
| Isomeric SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| Monoisotopic Mass | 540.37157878 |
| Topological Polar Surface Area | 49.4Ų |
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