Basic information
- CAS
39459-41-1- Standard SMILES
CN1C2C[C@H](OC(=O)[C@H](CO)c3ccccc3)CC1[C@@H](O)C2- InChIKey
WTQYWNWRJNXDEG-BJWPUDQFSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Names & identifiers
- Preferred name
- 3-Bicyclo[3.2.1]octanyl 3-hydroxy-2-phenyl-propanoate
- IUPAC
- [(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Names & synonyms
3-bicyclo[3.2.1]octanyl 3-hydroxy-2-phenyl-propanoateDTXSID6096009539459-41-1[(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoateSBI-0051252.P002(3S,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
Database identifiers
- CAS
39459-41-1- PubChem CID
- 64704
- DTXSID
DTXSID60960095
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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