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DBCO-C2-sulfo NHS ester
| Catalog Number | CCR1803279868 |
| CAS | 1803279-86-8 |
| Synonyms | DBCO-C4-sulfo NHS ester |
| IUPAC Name | 1-[4-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid |
| Molecular Weight | 482.46 |
| Molecular Formula | C23H18N2O8S |
| Canonical SMILES | C1C(C(=O)N(C1=O)OC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)S(=O)(=O)O |
| InChI | InChI=1S/C23H18N2O8S/c26-20(11-12-22(28)33-25-21(27)13-19(23(25)29)34(30,31)32)24-14-17-7-2-1-5-15(17)9-10-16-6-3-4-8-18(16)24/h1-8,19H,11-14H2,(H,30,31,32) |
| InChI Key | WXRUVQUSPDYTKA-UHFFFAOYSA-N |
| Density | 1.62±0.1 g/cm3(Predicted) |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 1040 |
| Exact Mass | 482.07838671 |
| Monoisotopic Mass | 482.07838671 |
| pKa | -0.04±0.20(Predicted) |
| Topological Polar Surface Area | 147Ų |
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