Basic information
- CAS
24676-80-0- Standard SMILES
Cl.O=C(OC1C[C@@H]2N[C@H](C1)C1O[C@H]12)[C@H](CO)c1ccccc1- InChIKey
PMDQSBZXEATWCG-OQRQAUAUSA-N- Molecular formula
- C16H20ClNO4
- Average molar mass
- 325.79 g/mol
- Monoisotopic mass
- 325.1080858
Names & identifiers
- Preferred name
- 3-Oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1)
- IUPAC
- [(1R,4S,5S)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrochloride
Names & synonyms
DTXSID50947618(1R,4S,5S)-3-Oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1)3-Oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl 3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
24676-80-0- PubChem CID
- 5484085
- DTXSID
DTXSID50947618
Properties
Computed structural properties
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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