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Biotin-PEG2-C4-alkyne
| Catalog Number | CCR1011268282 |
| CAS | 1011268-28-2 |
| Synonyms | 1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-[2-[2-[2-[(1-oxo-5-hexyn-1-yl)amino]ethoxy]ethoxy]ethyl]-, (3aS,4S,6aR)- |
| IUPAC Name | N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]hex-5-ynamide |
| Molecular Weight | 468.61 |
| Molecular Formula | C22H36N4O5S |
| Canonical SMILES | C#CCCCC(=O)NCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2 |
| InChI | InChI=1S/C22H36N4O5S/c1-2-3-4-8-19(27)23-10-12-30-14-15-31-13-11-24-20(28)9-6-5-7-18-21-17(16-32-18)25-22(29)26-21/h1,17-18,21H,3-16H2,(H,23,27)(H,24,28)(H2,25,26,29)/t17-,18-,21-/m0/s1 |
| InChI Key | BMIRHLAYBWVOOC-WFXMLNOXSA-N |
| Boiling Point | 799.8±60.0 °C(Predicted) |
| Density | 1.158±0.06 g/cm3(Predicted) |
| Solubility | Soluble in DMSO, DMF |
| Appearance | Crystalline solid |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 654 |
| Exact Mass | 468.24064144 |
| Isomeric SMILES | C#CCCCC(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| Monoisotopic Mass | 468.24064144 |
| pKa | 13.90±0.40(Predicted) |
| Topological Polar Surface Area | 143 Ų |
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