Basic information
- CAS
83022-22-4- Standard SMILES
COC(=O)N1CC2[C@H](O)[C@H](O)C1ON2c1ccccc1- InChIKey
ZMKVMCDIHBSLEY-YECOWLKZSA-N- Molecular formula
- C13H16N2O5
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.10592162
Names & identifiers
- Preferred name
- Methyl (7S,8S)-7,8-dihydroxy-2-phenyl-3-oxa-2,5-diazabicyclo[2.2.2]octane-5-carboxylate
- IUPAC
- methyl (7S,8S)-7,8-dihydroxy-2-phenyl-3-oxa-2,5-diazabicyclo[2.2.2]octane-5-carboxylate
Names & synonyms
NSC36795983022-22-4DTXSID50321015NSC-367959METHYL (7S,8S)-7,8-DIHYDROXY-2-PHENYL-3-OXA-2,5-DIAZABICYCLO[2.2.2]OCTANE-5-CARBOXYLATE
Database identifiers
- CAS
83022-22-4- PubChem CID
- 339840
- DTXSID
DTXSID50321015
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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