DOTA-(t-Butyl)3-PEG5-azide
Catalog Number | R14-0146 |
Category | Azides |
Molecular Formula | C40H76N8O12 |
Molecular Weight | 861.1 |
Catalog Number | Size | Price | Quantity |
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R14-0146 | -- | $-- |
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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 |
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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) |
InChI Key | ZAFZQMAHXFLVMX-UHFFFAOYSA-N |
- Product Specification
Storage | -20 °C |
Computed Properties | |
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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 |
Applications of Fluorescent Probes & Dyes
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