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Bis-DBCO-PEG4
| Catalog Number | R01-0369 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C48H50N4O8 |
| Molecular Weight | 811.0 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Purity | 94% |
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[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]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C48H50N4O8/c53-45(21-23-47(55)51-35-41-13-3-1-9-37(41)17-19-39-11-5-7-15-43(39)51)49-25-27-57-29-31-59-33-34-60-32-30-58-28-26-50-46(54)22-24-48(56)52-36-42-14-4-2-10-38(42)18-20-40-12-6-8-16-44(40)52/h1-16H,21-36H2,(H,49,53)(H,50,54) |
| InChIKey | BZGLRSPETVGNDI-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 21 |
| Exact Mass | 810.36286457 g/mol |
| Monoisotopic Mass | 810.36286457 g/mol |
| Topological Polar Surface Area | 136Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1420 |
| 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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