Pentaerythritol, dibenzenesulfonate
[2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzenesulfonate
Also Known As: Pentaerythritol, dibenzenesulfonate|1,3-Propanediol, 2,2-bis(hydroxymethyl)-, dibenzenesulfonate|2,2-bis(hydroxymethyl)propane-1,3-diyl dibenzenesulfonate|[2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzenesulfonate
| Molecular Formula | C17H20O8S2 |
|---|---|
| Molecular Weight | 416.05997 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 416.05997 |
| Monoisotopic Mass | 416.05997 |
| Heavy Atoms | 27 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 2572-59-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OCC(CO)(CO)COS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | QQBPWEUZTBTTFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol, dibenzenesulfonate (CAS 2572-59-0), with molecular formula C17H20O8S2 and molecular weight 416.05997 g/mol. IUPAC: [2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzenesulfonate.
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