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Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)O[C@@H](CO)[C@@H]2C=CCO2)cc1- InChIKey
JIJCDBITGHDTDP-STQMWFEESA-N- Molecular formula
- C13H16O5S
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.07184478
Names & identifiers
- Preferred name
- (S)-1-((S)-2,5-Dihydrofuran-2-yl)-2-hydroxyethyl 4-methylbenzenesulfonate
- IUPAC
- [(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL941396JIJCDBITGHDTDP-STQMWFEESA-N(S)-1-((S)-2,5-Dihydrofuran-2-yl)-2-hydroxyethyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 10401615
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Related reactions
2 records
Compound notes
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