| CAS Number | 1924596-31-5 |
| Catalog Number | AG00I2VB(AGN-PC-0WR1MF) |
| Chemical Name | 2,3,5,6-Tetrafluorophenyl 31-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-29-oxo-4,7,10,13,16,19,22,25-octaoxa-28-azahentriacontanoate |
| IUPAC Name | (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C32H44F4N2O13/c33-24-23-25(34)31(36)32(30(24)35)51-29(42)4-7-43-9-11-45-13-15-47-17-19-49-21-22-50-20-18-48-16-14-46-12-10-44-8-5-37-26(39)3-6-38-27(40)1-2-28(38)41/h1-2,23H,3-22H2,(H,37,39) |
| InChI Key | YQFZOPSEPCSFQQ-UHFFFAOYSA-N |
| MDL Number | MFCD28505514 |
| Molecular Formula | C32H44F4N2O13 |
| Molecular Weight | 740.6910 |
| SMILES | O=C1N(C(C=C1)=O)CCC(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC1=C(C(=CC(=C1F)F)F)F)=O |
| Synonyms | Mal-amido-PEG8-TFP ester,
1924596-31-5,
MAL-dPEG(R)8-TFP ester,
SCHEMBL19690455,
ZINC230490960,
BP-22741,
|
| Complexity | 1000 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 740.278g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 17 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 740.699g/mol |
| Monoisotopic Mass | 740.278g/mol |
| Rotatable Bond Count | 32 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number