| CAS Number | 581065-94-3 |
| Catalog Number | AG00IACA(AGN-PC-0SP1HF) |
| Chemical Name | 3,6,9,12-Tetraoxapentadecan-15-oic acid,1-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C22H36O9S/c1-19-5-7-20(8-6-19)32(24,25)30-18-17-29-16-15-28-14-13-27-12-11-26-10-9-21(23)31-22(2,3)4/h5-8H,9-18H2,1-4H3 |
| InChI Key | GGGJGMGLGUHUMW-UHFFFAOYSA-N |
| MDL Number | MFCD22574810 |
| Molecular Formula | C22H36O9S |
| Molecular Weight | 476.5808 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCC(=O)OC(C)(C)C |
| Synonyms | Tos-PEG5 t-butyl ester,
581065-94-3,
BIPG1864,
SCHEMBL16726897,
ZINC83254099,
BP-20709,
A1-06577,
3-[2-(2-{2-[2-(Toluene-4-sulfonyloxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-propionic acid tert-butyl ester,
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| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 476.208g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 476.581g/mol |
| Monoisotopic Mass | 476.208g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number