| CAS Number | 1870899-46-9 |
| Catalog Number | AG00I1UI(AGN-PC-0WR21K) |
| Chemical Name | Dbco-peg5-acid |
| IUPAC Name | 3-[2-[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]ethoxy]propanoic acid |
| InChI | InChI=1S/C32H40N2O9/c35-30(12-15-39-17-19-41-21-23-43-24-22-42-20-18-40-16-13-32(37)38)33-14-11-31(36)34-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)34/h1-8H,11-25H2,(H,33,35)(H,37,38) |
| InChI Key | IBWIRDQMNBYUPH-UHFFFAOYSA-N |
| MDL Number | MFCD28334546 |
| Molecular Formula | C32H40N2O9 |
| Molecular Weight | 596.6679999999998 |
| SMILES | O=C(NCCC(=O)N1Cc2ccccc2C#Cc2c1cccc2)CCOCCOCCOCCOCCOCCC(=O)O |
| Synonyms | DBCO-PEG5-Acid,
1870899-46-9,
DBCO-NHCO-PEG5-acid,
BP-22449,
|
| Complexity | 902 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 596.273g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 596.677g/mol |
| Monoisotopic Mass | 596.273g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number