| CAS Number | 1702356-19-1 |
| Catalog Number | AG01EH95 |
| Chemical Name | ENdo-BCN-PEG4-NHS ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C26H38N2O10/c29-23-7-8-24(30)28(23)38-25(31)9-11-33-13-15-35-17-18-36-16-14-34-12-10-27-26(32)37-19-22-20-5-3-1-2-4-6-21(20)22/h20-22H,3-19H2,(H,27,32)/t20-,21+,22? |
| InChI Key | MFQCOKMBYCIQEJ-CBQGHPETSA-N |
| MDL Number | MFCD23704191 |
| Molecular Formula | C26H38N2O10 |
| Molecular Weight | 538.5873 |
| SMILES | O=C(OC[C@@H]1[C@H]2[C@@H]1CCC#CCC2)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O |
| Synonyms | endo-BCN-PEG4-NHS ester,
SCHEMBL17637513,
SCHEMBL20149340,
1702356-19-1,
|
| Complexity | 833 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 538.253g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 538.594g/mol |
| Monoisotopic Mass | 538.253g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 139A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number