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Biotin-PEG3-propargyl
| Catalog Number | CCR1421701689 |
| CAS | 1421701-68-9 |
| Synonyms | 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-(2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethoxy)ethyl)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-prop-2-ynoxyethoxy)ethoxy]ethyl]pentanamide |
| Molecular Weight | 413.53 |
| Molecular Formula | C19H31N3O5S |
| Canonical SMILES | C#CCOCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2 |
| InChI | InChI=1S/C19H31N3O5S/c1-2-8-25-10-12-27-13-11-26-9-7-20-17(23)6-4-3-5-16-18-15(14-28-16)21-19(24)22-18/h1,15-16,18H,3-14H2,(H,20,23)(H2,21,22,24)/t15-,16-,18-/m0/s1 |
| InChI Key | GHIQFERKSLOFCW-BQFCYCMXSA-N |
| Boiling Point | 687.3±55.0 °C(Predicted) |
| Density | 1.163±0.06 g/cm3(Predicted) |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 539 |
| Exact Mass | 413.19844227 |
| Isomeric SMILES | C#CCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| Monoisotopic Mass | 413.19844227 |
| pKa | 13.90±0.40(Predicted) |
| Topological Polar Surface Area | 123 Ų |
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