| CAS Number | 1431291-44-9 |
| Catalog Number | AG00HWSP(AGN-PC-0WR1TL) |
| Chemical Name | Mal-amido-PEG2-TFP ester |
| IUPAC Name | (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C20H20F4N2O7/c21-12-11-13(22)19(24)20(18(12)23)33-17(30)4-7-31-9-10-32-8-5-25-14(27)3-6-26-15(28)1-2-16(26)29/h1-2,11H,3-10H2,(H,25,27) |
| InChI Key | HHXSYLTYQVHXMA-UHFFFAOYSA-N |
| MDL Number | MFCD28505516 |
| Molecular Formula | C20H20F4N2O7 |
| Molecular Weight | 476.3756 |
| SMILES | C(OC1=C(F)C(F)=CC(F)=C1F)(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O |
| Synonyms | Mal-amido-PEG2-TFP ester,
1431291-44-9,
MAL-PEG2-TFP ester,
BIPG1484,
SCHEMBL16329266,
MFCD28505516,
ZINC230491036,
BP-22739,
|
| Complexity | 707 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 476.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 476.381g/mol |
| Monoisotopic Mass | 476.121g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number