Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC2CC(CO)N(S(=O)(=O)c3ccc(C)cc3)C2)cc1- InChIKey
VQRFXOBYURQTDE-UHFFFAOYSA-N- Molecular formula
- C19H23NO6S2
- Average molar mass
- 425.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Toluenesulfonyl)-2-hydroxymethyl-4-(4-toluenesulfonyloxy)-pyrrolidine
- IUPAC
- [5-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL9686466VQRFXOBYURQTDE-UHFFFAOYSA-N1-(4-toluenesulfonyl)-2-hydroxymethyl-4-(4-toluenesulfonyloxy)-pyrrolidine
Database identifiers
- PubChem CID
- 14541198
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 711
Related reactions
3 records
Compound notes
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