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DBCO-PEG12-NHS ester
| Catalog Number | CCR2093934940 |
| CAS | 2093934-94-0 |
| Synonyms | Azadibenzocyclooctyne-PEG12-N-hydroxysuccinimidyl ester |
| IUPAC Name | (2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Molecular Weight | 1002.11 |
| Molecular Formula | C50H71N3O18 |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C50H71N3O18/c54-46(11-12-47(55)52-41-44-7-2-1-5-42(44)9-10-43-6-3-4-8-45(43)52)51-16-18-60-20-22-62-24-26-64-28-30-66-32-34-68-36-38-70-40-39-69-37-35-67-33-31-65-29-27-63-25-23-61-21-19-59-17-15-50(58)71-53-48(56)13-14-49(53)57/h1-8H,11-41H2,(H,51,54) |
| InChI Key | AFUFPIOHTWMNMM-UHFFFAOYSA-N |
| Purity | 98%+ |
| Solubility | Soluble in DMSO, DCM, DMF |
| Appearance | Oil |
| Application | SPAAC & SPANC Click Reaction |
| Storage | -20 °C, Protect from light, stored under nitrogen |
| Complexity | 1530 |
| Exact Mass | 1001.47326242 |
| Monoisotopic Mass | 1001.47326242 |
| Topological Polar Surface Area | 224Ų |
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