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Acid-PEG5-Amide-Tri(3-methoxypropanamide-PEG4-Azide) Methane
| Catalog Number | R14-0040 |
| Category | Azides |
| Molecular Formula | C57H107N13O26 |
| Molecular Weight | 1390.6 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
Patents
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C(COCCOCCOCCOCCOCCC(=O)O)C(=O)NC(COCCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])(COCCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])COCCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C57H107N13O26/c58-68-64-9-20-82-28-36-90-44-41-87-33-25-79-17-6-61-52(71)1-13-94-49-57(67-55(74)4-12-77-23-31-85-39-47-93-48-40-86-32-24-78-16-5-56(75)76,50-95-14-2-53(72)62-7-18-80-26-34-88-42-45-91-37-29-83-21-10-65-69-59)51-96-15-3-54(73)63-8-19-81-27-35-89-43-46-92-38-30-84-22-11-66-70-60/h1-51H2,(H,61,71)(H,62,72)(H,63,73)(H,67,74)(H,75,76) |
| InChIKey | KAUYRXCXYJYTHP-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | -3.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 32 |
| Rotatable Bond Count | 79 |
| Exact Mass | 1389.74502057 g/mol |
| Monoisotopic Mass | 1389.74502057 g/mol |
| Topological Polar Surface Area | 381Ų |
| Heavy Atom Count | 96 |
| Formal Charge | 0 |
| Complexity | 1820 |
| 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 |
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022148975-A1 | Heterotandem bicyclic peptide complexes | 2021-01-08 |
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