Bis[(2-fluorophenyl)methyl](1S,2S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@]1(C(=O)OCc2ccccc2F)C[C@H](O)[C@H]2[C@H](C(=O)OCc3ccccc3F)[C@H]21- InChIKey
BKWMDQGBBXKVAY-NOVLSDETSA-N- Molecular formula
- C27H29F2NO7
- Average molar mass
- 517.5 g/mol
- Monoisotopic mass
- 517.19120859
Names & identifiers
- Preferred name
- Bis[(2-fluorophenyl)methyl](1S,2S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylate
- IUPAC
- bis[(2-fluorophenyl)methyl] (1S,2S,4S,5R,6R)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-2,6-dicarboxylate
Names & synonyms
SCHEMBL1987966BKWMDQGBBXKVAY-NOVLSDETSA-NBis[(2-fluorophenyl)methyl] (1S,2S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylateBis[(2-fluorophenyl)methyl](1S,2S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylate
Database identifiers
- PubChem CID
- 58319587
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 864
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Related reactions
1 records
Compound notes
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