| CAS Number | 79622-11-0 |
| Catalog Number | AG00ID2A(AGN-PC-0OI9HU) |
| Chemical Name | 2,5,8,11,14,17,20-Heptaoxadocosan-22-ol, 4-methylbenzenesulfonate |
| IUPAC Name | 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C22H38O10S/c1-21-3-5-22(6-4-21)33(23,24)32-20-19-31-18-17-30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-25-2/h3-6H,7-20H2,1-2H3 |
| InChI Key | ZTSLDMCZJSLHRN-UHFFFAOYSA-N |
| MDL Number | MFCD21363273 |
| Molecular Formula | C22H38O10S |
| Molecular Weight | 494.5961 |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C |
| Synonyms | 79622-11-0,
Alpha-methoxy-omega-(4-methylbenzenesulfonate) hepta(ethylene glycol),
m-PEG7-tosylate,
m-PEG8-Tos,
BIPG1655,
SCHEMBL13169282,
MFCD21363273,
ZINC104530240,
BP-22358,
p-Toluenesulfonic acid 3,6,9,12,15,18,21-heptaoxadocosane-1-yl ester,
|
| Complexity | 518 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 494.219g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 494.596g/mol |
| Monoisotopic Mass | 494.219g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number