Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C- InChIKey
BSBYIIOINFIFGL-OCCSQVGLSA-N- Molecular formula
- C17H22N2O9S
- Average molar mass
- 430.4 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-(3-Nitro-benzenesulfonyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
- IUPAC
- 1-O-tert-butyl 2-O-methyl (2S,4R)-4-(3-nitrophenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate
Names & synonyms
SCHEMBL2685496BSBYIIOINFIFGL-OCCSQVGLSA-N(2S,4R)-4-(3-Nitro-benzenesulfonyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
Database identifiers
- PubChem CID
- 86664754
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 735
Related reactions
1 records
Compound notes
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