Basic information
- Standard SMILES
O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1O)[C@H](CO)c1ccccc1- InChIKey
XWQIOGZOIREUJW-CSPKTOEMSA-N- Molecular formula
- C15H20O8
- Average molar mass
- 328.31 g/mol
- Monoisotopic mass
- 328.1158176
Names & identifiers
- Preferred name
- [(2S,3S,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
- IUPAC
- [(2S,3S,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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