| CAS Number | 1456708-45-4 |
| Catalog Number | AG00HXG8(AGN-PC-0WAKBJ) |
| Chemical Name | Tos-PEG13-Tos |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C38H62O17S2/c1-35-3-7-37(8-4-35)56(39,40)54-33-31-52-29-27-50-25-23-48-21-19-46-17-15-44-13-11-43-12-14-45-16-18-47-20-22-49-24-26-51-28-30-53-32-34-55-57(41,42)38-9-5-36(2)6-10-38/h3-10H,11-34H2,1-2H3 |
| InChI Key | BFOYNTMRQQIZSP-UHFFFAOYSA-N |
| MDL Number | MFCD28334513 |
| Molecular Formula | C38H62O17S2 |
| Molecular Weight | 855.0187 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C |
| Synonyms | Tos-PEG13-Tos,
1456708-45-4,
SCHEMBL12865316,
ZINC201098945,
BP-22507,
p-Toluenesulfonic acid 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(tosyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester,
|
| Complexity | 1020 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 854.343g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 57 |
| Hydrogen Bond Acceptor Count | 17 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 855.017g/mol |
| Monoisotopic Mass | 854.343g/mol |
| Rotatable Bond Count | 40 |
| Topological Polar Surface Area | 205A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number