Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCCC(C)(C)NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
FQGMTURBIZRVSY-UHFFFAOYSA-N- Molecular formula
- C21H26N2O7S
- Average molar mass
- 450.5 g/mol
Names & identifiers
- Preferred name
- 5-p-Toluenesulfonyloxy-2-methyl-2-(p-nitrobenzyloxycarbonyl)aminopentane
- IUPAC
- [4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL10633112FQGMTURBIZRVSY-UHFFFAOYSA-N5-p-toluenesulfonyloxy-2-methyl-2-(p-nitrobenzyloxycarbonyl)aminopentane
Database identifiers
- PubChem CID
- 20140775
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 683
Related reactions
4 records
Compound notes
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