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DBCO-N-bis(PEG4-acid)
| Catalog Number | R01-0078 |
| Category | Alkynes |
| Molecular Formula | C41H56N2O14 |
| Molecular Weight | 800.9 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-N-bis(PEG4-acid) is a branched click chemistry reagent. The DBCO group enables copper-free Click Chemistry reactions. carboxylic acid groups allows for reactions with primary amine groups using activators such as EDC or HATU to form a stable amide bond.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | 3-[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]-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C41H56N2O14/c44-38(11-12-39(45)43-33-36-7-2-1-5-34(36)9-10-35-6-3-4-8-37(35)43)42(15-19-52-23-27-56-31-29-54-25-21-50-17-13-40(46)47)16-20-53-24-28-57-32-30-55-26-22-51-18-14-41(48)49/h1-8H,11-33H2,(H,46,47)(H,48,49) |
| InChIKey | NKDFKIRFDIPDQC-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 33 |
| Exact Mass | 800.37315446 g/mol |
| Monoisotopic Mass | 800.37315446 g/mol |
| Topological Polar Surface Area | 189Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1170 |
| 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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