Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2COc3ccc(OCc4ccccc4)c(CCO)c3O2)cc1- InChIKey
DMRLGHCMWGUREN-UHFFFAOYSA-N- Molecular formula
- C25H26O7S
- Average molar mass
- 470.5 g/mol
Names & identifiers
- Preferred name
- [7-(Benzyloxy)-8-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
- IUPAC
- [5-(2-hydroxyethyl)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL6632445DMRLGHCMWGUREN-UHFFFAOYSA-N[7-(Benzyloxy)-8-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 18546019
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 679
Related reactions
2 records
Compound notes
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