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Biotin-PEG4-SS-alkyne
| Catalog Number | CCR1260247548 |
| CAS | 1260247-54-8 |
| IUPAC Name | 4-[(3aR,6aS)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[2-[[3-(but-3-ynylamino)-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide |
| Molecular Weight | 691.92 |
| Molecular Formula | C29H49N5O8S3 |
| Canonical SMILES | C#CCCNC(=O)CCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC1C2C(CS1)NC(=O)N2 |
| InChI | InChI=1S/C29H49N5O8S3/c1-2-3-9-30-27(37)8-20-44-45-21-11-32-26(36)7-12-39-14-16-41-18-19-42-17-15-40-13-10-31-25(35)6-4-5-24-28-23(22-43-24)33-29(38)34-28/h1,23-24,28H,3-22H2,(H,30,37)(H,31,35)(H,32,36)(H2,33,34,38)/t23-,24?,28-/m1/s1 |
| InChI Key | OBMQVSWBFJZVLH-ITYCQJBESA-N |
| Boiling Point | 990.6±65.0 °C(Predicted) |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 926 |
| Exact Mass | 691.27432706 |
| Isomeric SMILES | C#CCCNC(=O)CCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC1[C@H]2[C@@H](CS1)NC(=O)N2 |
| Monoisotopic Mass | 691.27432706 |
| pKa | 13.90±0.40(Predicted) |
| Topological Polar Surface Area | 241 Ų |
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