4-[(2-Ethyl-4-nitroimidazol-1-yl)-phenoxyphosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
Basic information
- CAS
65561-75-3- Standard SMILES
CCc1nc([N+](=O)[O-])cn1P(=O)(Oc1ccccc1)OC1CC(C)(C)N(O)C(C)(C)C1- InChIKey
APRZOAFGGFVERV-UHFFFAOYSA-N- Molecular formula
- C20H29N4O6P
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.18247166
Names & identifiers
- Preferred name
- 4-[(2-Ethyl-4-nitroimidazol-1-yl)-phenoxyphosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
- IUPAC
- 4-[(2-ethyl-4-nitroimidazol-1-yl)-phenoxyphosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
Names & synonyms
65561-75-3NSC2660084-[(2-ethyl-4-nitroimidazol-1-yl)-phenoxyphosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidineDTXSID60313027NSC-2660081-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl phenyl (2-ethyl-4-nitro-1H-imidazol-1-yl)phosphonate
Database identifiers
- CAS
65561-75-3- PubChem CID
- 319907
- DTXSID
DTXSID60313027
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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