Basic information
- Standard SMILES
CC1(C)OC[C@@H](COc2ccc(CCCOS(C)(=O)=O)cc2)O1- InChIKey
UEMHTEDXJUFSPZ-OAHLLOKOSA-N- Molecular formula
- C16H24O6S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.12935965
Names & identifiers
- Preferred name
- Methanesulfonic acid 3-[4-((R)-2,2-dimethyl[1,3]dioxolan-4-ylmethoxy)-phenyl]-propylester
- IUPAC
- 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]propyl methanesulfonate
Names & synonyms
SCHEMBL1134613UEMHTEDXJUFSPZ-OAHLLOKOSA-NMethanesulfonic acid 3-[4-((R)-2,2-dimethyl[1,3]dioxolan-4-ylmethoxy)-phenyl]-propylesterMethanesulfonic acid 3-[4-((R)-2,2-dimethyl [1,3]dioxolan-4-ylmethoxy)-phenyl]-propylesterMethanesulfonic acid 3-[4-((R)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-phenyl]-propylester
Database identifiers
- PubChem CID
- 86641908
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
8 records
Compound notes
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