| CAS Number | 406213-75-0 |
| Catalog Number | AG00I7YY(AGN-PC-0ROKEO) |
| Chemical Name | 1,1-Dimethylethyl 21-[[(4-methylphenyl)sulfonyl]oxy]-4,7,10,13,16,19-hexaoxaheneicosanoate |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C26H44O11S/c1-23-5-7-24(8-6-23)38(28,29)36-22-21-35-20-19-34-18-17-33-16-15-32-14-13-31-12-11-30-10-9-25(27)37-26(2,3)4/h5-8H,9-22H2,1-4H3 |
| InChI Key | HMGVIAOGIVRIFP-UHFFFAOYSA-N |
| MDL Number | MFCD20926384 |
| Molecular Formula | C26H44O11S |
| Molecular Weight | 564.6860 |
| SMILES | O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C1=CC=C(C=C1)C |
| Synonyms | Tos-PEG7-t-butyl ester,
406213-75-0,
BIPG1866,
SCHEMBL15675910,
HMGVIAOGIVRIFP-UHFFFAOYSA-N,
ZINC100008387,
BP-20508,
tert-butyl 1-{[(4-methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18-hexaoxahenicosan-21-oate,
|
| Complexity | 680 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 564.26g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 564.687g/mol |
| Monoisotopic Mass | 564.26g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number