| CAS Number | 2112731-51-6 |
| Catalog Number | AG019EC5 |
| Chemical Name | 2,5-Dioxopyrrolidin-1-yl 1-azido-12-(tert-butoxycarbonyl)-3,6,9,15,18,21-hexaoxa-12-azatetracosan-24-oate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C26H45N5O12/c1-26(2,3)42-25(35)30(9-13-39-17-21-41-19-15-37-11-7-28-29-27)8-12-38-16-20-40-18-14-36-10-6-24(34)43-31-22(32)4-5-23(31)33/h4-21H2,1-3H3 |
| InChI Key | KGZHKOJBRRUXFU-UHFFFAOYSA-N |
| MDL Number | MFCD30723237 |
| Molecular Formula | C26H45N5O12 |
| Molecular Weight | 619.6618 |
| SMILES | [N-]=[N+]=NCCOCCOCCOCCN(C(=O)OC(C)(C)C)CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O |
| Synonyms | N-(Azido-PEG3)-N-Boc-PEG3-NHS ester,
BP-23565,
2112731-51-6,
|
| Complexity | 863 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 619.306g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 619.669g/mol |
| Monoisotopic Mass | 619.306g/mol |
| Rotatable Bond Count | 28 |
| Topological Polar Surface Area | 163A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number