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DOTA-(t-Butyl)3-PEG5-azide
| Catalog Number | R14-0146 |
| Category | Azides |
| Molecular Formula | C40H76N8O12 |
| Molecular Weight | 861.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DOTA-(t-Butyl)3-PEG5-azide contains DOTA-(t-butyl) and azide moieties. The DOTA-(t-Butyl) is Soluble in DMF and DCM. The t-Butyl groups can be removed under acidic conditions to produce free carboxylic acid. The azide group is commonly used in copper-catalyzed Click Chemistry reactions with alkynes, DBCO and BCN. The PEG chain increases the water solubility of compounds in aqueous media.
Chemical Information
Product Specification
Computed Properties
| Purity | 95% |
| IUPAC Name | tert-butyl 2-[4-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate |
| Canonical SMILES | CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C40H76N8O12/c1-38(2,3)58-35(50)31-46-14-12-45(30-34(49)42-10-20-53-22-24-55-26-28-57-29-27-56-25-23-54-21-11-43-44-41)13-15-47(32-36(51)59-39(4,5)6)17-19-48(18-16-46)33-37(52)60-40(7,8)9/h10-33H2,1-9H3,(H,42,49) |
| InChIKey | ZAFZQMAHXFLVMX-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 32 |
| Exact Mass | 860.55826989 g/mol |
| Monoisotopic Mass | 860.55826989 g/mol |
| Topological Polar Surface Area | 182Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1220 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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