| CAS Number | 2112731-96-9 |
| Catalog Number | AG019ECM |
| Chemical Name | 5,8,11,14-Tetraoxa-2-azaheptadecanedioic acid, 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-, 1-(1,1-dimethylethyl) 17-(2,5-dioxo-1-pyrrolidinyl) ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C28H49N5O13/c1-28(2,3)45-27(37)32(8-12-40-16-20-43-19-15-39-11-7-30-31-29)9-13-41-17-21-44-23-22-42-18-14-38-10-6-26(36)46-33-24(34)4-5-25(33)35/h4-23H2,1-3H3 |
| InChI Key | HPZJDOZGYDPWNJ-UHFFFAOYSA-N |
| MDL Number | MFCD30723220 |
| Molecular Formula | C28H49N5O13 |
| Molecular Weight | 663.7144 |
| SMILES | CC(C)(C)OC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O |
| Synonyms | N-(Azido-PEG3)-N-Boc-PEG4-NHS ester,
BP-23586,
2112731-96-9,
|
| Complexity | 912 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 663.333g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 663.722g/mol |
| Monoisotopic Mass | 663.333g/mol |
| Rotatable Bond Count | 31 |
| Topological Polar Surface Area | 172A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number