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DBCO-PEG2-acid | CAS 2304558-25-4
| Catalog Number | R01-0435 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C26H28N2O6 |
| Molecular Weight | 464.5 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG2-acid is an analog of DBCO-Acid with PEG linker and a DBCO group. The DBCO groups is commonly used for copper-free Click Chemistry reactions due to its strain promoted high energy. The hydrophilic PEG chain allows for increased water solubility. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 3-{2-[2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethoxy}propanoic acid |
| Purity | 97% |
| IUPAC Name | 3-[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]propanoic acid |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCC(=O)O |
| InChI | InChI=1S/C26H28N2O6/c29-24(27-14-16-34-18-17-33-15-13-26(31)32)11-12-25(30)28-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)28/h1-8H,11-19H2,(H,27,29)(H,31,32) |
| InChIKey | IZLCAESRDHFGLF-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 464.19473662 g/mol |
| Monoisotopic Mass | 464.19473662 g/mol |
| Topological Polar Surface Area | 105Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 757 |
| 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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