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DBCO-N-bis(PEG4-NHS ester)
| Catalog Number | R01-0076 |
| Category | Alkynes |
| Molecular Formula | C49H62N4O18 |
| Molecular Weight | 995.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-N-bis(PEG4-NHS ester) is a click chemistry crosslinker with two NHS ester groups. The NHS active esters can be used to label the primary amines (-NH2) of proteins and other amine-containing molecules.The DBCO group is very reactive with azide molecule via copper-free Click Chemistry.
Chemical Information
Product Specification
Computed Properties
| Purity | 95% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 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-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)C(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C49H62N4O18/c54-42(11-12-43(55)51-37-40-7-2-1-5-38(40)9-10-39-6-3-4-8-41(39)51)50(19-23-64-27-31-68-35-33-66-29-25-62-21-17-48(60)70-52-44(56)13-14-45(52)57)20-24-65-28-32-69-36-34-67-30-26-63-22-18-49(61)71-53-46(58)15-16-47(53)59/h1-8H,11-37H2 |
| InChIKey | LTXDZCUWVWVRMS-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 37 |
| Exact Mass | 994.40591114 g/mol |
| Monoisotopic Mass | 994.40591114 g/mol |
| Topological Polar Surface Area | 242Ų |
| Heavy Atom Count | 71 |
| Formal Charge | 0 |
| Complexity | 1690 |
| 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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