(2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate
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Basic information
- Standard SMILES
O=C(OC1CC(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)CO1)c1ccccc1- InChIKey
HYQISMBJGQVBLA-UHFFFAOYSA-N- Molecular formula
- C26H22O7
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.13655304
Names & identifiers
- Preferred name
- (2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoate
- IUPAC
- (2,5-dibenzoyloxyoxan-4-yl) benzoate
Names & synonyms
NSC231844(2S,3S,4R,6S)-2,3-bis(benzoyloxy)-6-methyloxan-4-yl benzoateNSC-231844
Database identifiers
- PubChem CID
- 314409
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 660
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Compound notes
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