| CAS Number | 518044-37-6 |
| Catalog Number | AG00I99I(AGN-PC-0SBBN6) |
| Chemical Name | 3,6,9,12,15,18-Hexaoxaheneicosan-21-oic acid,1-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C23H39NO10/c1-23(2,3)34-22(27)6-8-28-10-12-30-14-16-32-18-19-33-17-15-31-13-11-29-9-7-24-20(25)4-5-21(24)26/h4-5H,6-19H2,1-3H3 |
| InChI Key | CUCNCZLNASXRTC-UHFFFAOYSA-N |
| MDL Number | MFCD23378560 |
| Molecular Formula | C23H39NO10 |
| Molecular Weight | 489.5565 |
| SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O |
| Synonyms | MAl-PEG6-t-butyl ester,
518044-37-6,
BIPG1518,
ZINC96299623,
BP-21523,
|
| Complexity | 599 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 489.257396g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 489.6g/mol |
| Monoisotopic Mass | 489.257396g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 119Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number