| CAS Number | 1807539-01-0 |
| Catalog Number | AG00I091(AGN-PC-0WR1U7) |
| Chemical Name | 1,1-Dimethylethyl 14-[[(4-methylphenyl)sulfonyl]oxy]-3,6,9,12-tetraoxa-2-azatetradecanoate |
| IUPAC Name | 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C20H33NO9S/c1-17-5-7-18(8-6-17)31(23,24)29-16-14-27-12-10-25-9-11-26-13-15-28-21-19(22)30-20(2,3)4/h5-8H,9-16H2,1-4H3,(H,21,22) |
| InChI Key | ILJUQOOWAYCBJG-UHFFFAOYSA-N |
| MDL Number | MFCD28064335 |
| Molecular Formula | C20H33NO9S |
| Molecular Weight | 463.5423 |
| SMILES | O=C(OC(C)(C)C)NOCCOCCOCCOCCOS(=O)(=O)C1=CC=C(C=C1)C |
| Synonyms | t-Boc-Aminoxy-PEG4-Tos,
1807539-01-0,
t-Boc-Aminooxy-PEG4-Tos,
BIPG1798,
ZINC214943757,
BP-22229,
|
| Complexity | 578 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 463.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 463.542g/mol |
| Monoisotopic Mass | 463.188g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number