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DBCO-PEG4-desthiobiotin
| Catalog Number | CCR2032788375 |
| CAS | 2032788-37-5 |
| Structure |  |
| IUPAC Name | 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]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide |
| Molecular Weight | 719.87 |
| Molecular Formula | C39H53N5O8 |
| Canonical SMILES | CC1C(NC(=O)N1)CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C39H53N5O8/c1-30-34(43-39(48)42-30)12-3-2-4-14-36(45)41-20-22-50-24-26-52-28-27-51-25-23-49-21-18-37(46)40-19-17-38(47)44-29-33-11-6-5-9-31(33)15-16-32-10-7-8-13-35(32)44/h5-11,13,30,34H,2-4,12,14,17-29H2,1H3,(H,40,46)(H,41,45)(H2,42,43,48)/t30-,34+/m0/s1 |
| InChI Key | RLLRLVMWDMAIJT-BFGHFXMOSA-N |
| Boiling Point | 1013.4±65.0 °C(Predicted) |
| Density | 1.24±0.1 g/cm3(Predicted) |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 1170 |
| Exact Mass | 719.38941367 |
| Isomeric SMILES | C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| Monoisotopic Mass | 719.38941367 |
| pKa | 14.93±0.60(Predicted) |
| Topological Polar Surface Area | 157Ų |
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