| CAS Number | 109635-64-5 |
| Catalog Number | AG00HBK6(AGN-PC-0OZPJ3) |
| Chemical Name | 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol,bis(4-methylbenzenesulfonate) |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C32H50O14S2/c1-29-3-7-31(8-4-29)47(33,34)45-27-25-43-23-21-41-19-17-39-15-13-37-11-12-38-14-16-40-18-20-42-22-24-44-26-28-46-48(35,36)32-9-5-30(2)6-10-32/h3-10H,11-28H2,1-2H3 |
| InChI Key | SIKNYSIQTXQRSQ-UHFFFAOYSA-N |
| MDL Number | MFCD25372003 |
| Molecular Formula | C32H50O14S2 |
| Molecular Weight | 722.8610 |
| SMILES | O=S(C1=CC=C(C)C=C1)(OCCOCCOCCOCCOCCOCCOCCOCCOCCOS(C2=CC=C(C)C=C2)(=O)=O)=O |
| Synonyms | 109635-64-5,
Tos-PEG10-Tos,
Nonaethylenel di(p-toluenesulfonate),
3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diyl bis(4-methylbenzenesulfonate),
C32H50O14S2,
Nonaethylenel di(p-toluenesulfonate),
ZINC150357549,
ACN-050866,
BP-22063,
Y4908,
SIKNYSIQTXQRSQ-UHFFFAOYSA-N,
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| Complexity | 876 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 722.264g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 722.858g/mol |
| Monoisotopic Mass | 722.264g/mol |
| Rotatable Bond Count | 31 |
| Topological Polar Surface Area | 177A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number