| CAS Number | 1008402-47-8 |
| Catalog Number | AG0002ZL(AGN-PC-0WR0PH) |
| Chemical Name | 1H-Pyrrole-1-propanamide, N,N'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)]bis[2,5-dihydro-2,5-dioxo- |
| IUPAC Name | 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide |
| InChI | InChI=1S/C22H30N4O9/c27-17(5-9-25-19(29)1-2-20(25)30)23-7-11-33-13-15-35-16-14-34-12-8-24-18(28)6-10-26-21(31)3-4-22(26)32/h1-4H,5-16H2,(H,23,27)(H,24,28) |
| InChI Key | KFEOJIBJOGJZDY-UHFFFAOYSA-N |
| MDL Number | MFCD22683311 |
| Molecular Formula | C22H30N4O9 |
| Molecular Weight | 494.4950 |
| SMILES | O=C(NCCOCCOCCOCCNC(CCN1C(C=CC1=O)=O)=O)CCN2C(C=CC2=O)=O |
| Synonyms | Bis-Mal-PEG3,
Mal-NH-PEG3-NH-Mal,
1008402-47-8,
BIPG1241,
ZINC83254005,
BP-20999,
1H-Pyrrole-1-propanamide, N,N'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)]bis[2,5-dihydro-2,5-dioxo-,
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| Complexity | 752 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 494.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 494.501g/mol |
| Monoisotopic Mass | 494.201g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 161A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number