| CAS Number | 2100306-51-0 |
| Catalog Number | AG019EEJ |
| Chemical Name | 1,19-Bis(1,1-dimethylethyl) 10-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]-4,7,13,16-tetraoxa-10-azanonadecanedioate |
| IUPAC Name | tert-butyl 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C29H48N2O11/c1-28(2,3)41-26(35)10-15-37-19-21-39-17-13-30(23(32)9-12-31-24(33)7-8-25(31)34)14-18-40-22-20-38-16-11-27(36)42-29(4,5)6/h7-8H,9-22H2,1-6H3 |
| InChI Key | RNNUCUOOBIVTED-UHFFFAOYSA-N |
| MDL Number | MFCD29912830 |
| Molecular Formula | C29H48N2O11 |
| Molecular Weight | 600.6982 |
| SMILES | O=C(OC(C)(C)C)CCOCCOCCN(C(=O)CCN1C(=O)C=CC1=O)CCOCCOCCC(=O)OC(C)(C)C |
| Synonyms | N-Mal-N-bis(PEG2-t-butyl ester),
2100306-51-0,
BP-23730,
|
| Complexity | 844 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 600.326g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 600.706g/mol |
| Monoisotopic Mass | 600.326g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 147A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number