| CAS Number | 1050500-41-8 |
| Catalog Number | AG00HAKN(AGN-PC-0WR1VI) |
| Chemical Name | PEG13-Tos |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C31H56O15S/c1-30-2-4-31(5-3-30)47(33,34)46-29-28-45-27-26-44-25-24-43-23-22-42-21-20-41-19-18-40-17-16-39-15-14-38-13-12-37-11-10-36-9-8-35-7-6-32/h2-5,32H,6-29H2,1H3 |
| InChI Key | CXFHSAUILDFVJJ-UHFFFAOYSA-N |
| MDL Number | MFCD28334511 |
| Molecular Formula | C31H56O15S |
| Molecular Weight | 700.8323 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Synonyms | PEG13-Tos,
1050500-41-8,
SCHEMBL15416739,
ZINC222803646,
BP-22513,
p-Toluenesulfonic acid 35-hydroxy-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1-yl ester,
|
| Complexity | 733 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 700.334g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 700.834g/mol |
| Monoisotopic Mass | 700.334g/mol |
| Rotatable Bond Count | 37 |
| Topological Polar Surface Area | 174A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number