Basic information
- Standard SMILES
CCO[C@H]1CN(C(=O)OC(C)(C)C)C([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)[N+](=O)[O-])CO1- InChIKey
TYBAUDYQFJSBCO-WOPUZOFWSA-N- Molecular formula
- C20H28F2N2O7
- Average molar mass
- 446.4 g/mol
Names & identifiers
- Preferred name
- (R)-5-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-nitropropyl]-2-ethoxymorpholine-4-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R)-5-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-nitropropyl]-2-ethoxymorpholine-4-carboxylate
Names & synonyms
SCHEMBL3244504TYBAUDYQFJSBCO-WOPUZOFWSA-N(R)-5-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-nitropropyl]-2-ethoxymorpholine-4-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68564103
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 603
Related reactions
1 records
Compound notes
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