| CAS Number | 2182601-68-7 |
| Catalog Number | AG019EFH |
| Chemical Name | Dbco-Peg4-Dbco |
| IUPAC Name | N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide |
| InChI | InChI=1S/C48H50N4O8/c53-45(49-25-21-47(55)51-35-41-13-3-1-9-37(41)17-19-39-11-5-7-15-43(39)51)23-27-57-29-31-59-33-34-60-32-30-58-28-24-46(54)50-26-22-48(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) |
| InChI Key | YCDMQCKYINAWGI-UHFFFAOYSA-N |
| MDL Number | MFCD31536768 |
| Molecular Formula | C48H50N4O8 |
| Molecular Weight | 810.9326 |
| SMILES | O=C(NCCC(=O)N1C=2C=CC=CC2C#CC=3C=CC=CC3C1)CCOCCOCCOCCOCCC(=O)NCCC(=O)N4C=5C=CC=CC5C#CC=6C=CC=CC6C4 |
| Synonyms | DBCO-PEG4-DBCO,
BP-23772,
2182601-68-7,
|
| Complexity | 1420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 810.362865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 60 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 810.9g/mol |
| Monoisotopic Mass | 810.362865g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 136Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number