Basic information
- Standard SMILES
CC(=O)Oc1cccc(CC(C(O)C2COC(C)(C)N2C(=O)OC(C)(C)C)[N+](=O)[O-])c1- InChIKey
NWJNELWJCYBQTE-UHFFFAOYSA-N- Molecular formula
- C21H30N2O8
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.20021592
Names & identifiers
- Preferred name
- Tert-butyl 4-[3-(3-acetyloxyphenyl)-1-hydroxy-2-nitropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
- IUPAC
- tert-butyl 4-[3-(3-acetyloxyphenyl)-1-hydroxy-2-nitropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Names & synonyms
SCHEMBL3237130
Database identifiers
- PubChem CID
- 68560982
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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