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Biotin-PEG4-amide-alkyne
| Catalog Number | CCR1006592455 |
| CAS | 1006592-45-5 |
| Structure |  |
| Synonyms | (3aS,4S,6aR)-Hexahydro-2-oxo-N-(15-oxo-3,6,9,12-tetraoxa-16-azanonadec-18-yn-1-yl)-1H-thieno[3,4-d]imidazole-4-pentanamide |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-oxo-3-(prop-2-ynylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| Molecular Weight | 528.66 |
| Molecular Formula | C24H40N4O7S |
| Canonical SMILES | C#CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2 |
| InChI | InChI=1S/C24H40N4O7S/c1-2-8-25-22(30)7-10-32-12-14-34-16-17-35-15-13-33-11-9-26-21(29)6-4-3-5-20-23-19(18-36-20)27-24(31)28-23/h1,19-20,23H,3-18H2,(H,25,30)(H,26,29)(H2,27,28,31)/t19-,20-,23-/m0/s1 |
| InChI Key | YJLJWRIKUZDUPV-JTAQYXEDSA-N |
| Boiling Point | 822.9±65.0 °C(Predicted) |
| Density | 1.174 g/cm3 |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 718 |
| Exact Mass | 528.26177080 |
| Isomeric SMILES | C#CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| Monoisotopic Mass | 528.26177080 |
| pKa | 13.90±0.40(Predicted) |
| Topological Polar Surface Area | 162 Ų |
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