(2R,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-6-(phenylmethoxymethyl)pyran-3-one
Basic information
- CAS
120052-41-7- Standard SMILES
CO[C@]1(COCc2ccccc2)C=CC(=O)[C@@H]([C@H]2COC(C)(C)O2)O1- InChIKey
ZMADWOJVNICFDX-ZIFCJYIRSA-N- Molecular formula
- C19H24O6
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.15728848
Names & identifiers
- Preferred name
- (2R,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-6-(phenylmethoxymethyl)pyran-3-one
- IUPAC
- (2R,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-6-(phenylmethoxymethyl)pyran-3-one
Names & synonyms
DTXSID201108318120052-41-72H-Pyran-3(6H)-one, 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-methoxy-6-[(phenylmethoxy)methyl]-, [2R-[2I+/-(R*),6I(2)]]-
Database identifiers
- CAS
120052-41-7- PubChem CID
- 15098488
- DTXSID
DTXSID201108318
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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