| CAS Number | 2055041-21-7 |
| Catalog Number | AG019E5Y |
| Chemical Name | 4,7,10,13,19,22,25,28-Octaoxa-16-thiahentriacontanedioic acid |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C22H42O12S/c23-21(24)1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-30-8-6-28-4-2-22(25)26/h1-20H2,(H,23,24)(H,25,26) |
| InChI Key | GRGLDHQIGLRPHV-UHFFFAOYSA-N |
| MDL Number | MFCD29918241 |
| Molecular Formula | C22H42O12S |
| Molecular Weight | 530.6267 |
| SMILES | O=C(O)CCOCCOCCOCCOCCSCCOCCOCCOCCOCCC(=O)O |
| Synonyms | Acid-PEG4-S-PEG4-Acid,
2055041-21-7,
BP-23192,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 530.24g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 530.626g/mol |
| Monoisotopic Mass | 530.24g/mol |
| Rotatable Bond Count | 30 |
| Topological Polar Surface Area | 174A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number