1H-Imidazole-1-ethanol, alpha-(methoxymethyl)-2-nitro-, (R)-
Basic information
- CAS
95120-45-9- Standard SMILES
COC[C@@H](O)Cn1ccnc1[N+](=O)[O-]- InChIKey
OBBCSXFCDPPXOL-LURJTMIESA-N- Molecular formula
- C7H11N3O4
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.07495584
Names & identifiers
- Preferred name
- 1H-Imidazole-1-ethanol, alpha-(methoxymethyl)-2-nitro-, (R)-
- IUPAC
- (2S)-1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
Names & synonyms
95120-46-01H-Imidazole-1-ethanol, alpha-(methoxymethyl)-2-nitro-, (R)-(2S)-1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol(+)-Misonidazole(2S)-1-methoxy-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol95120-45-9(-)-MisonidazoleEBC-14480PD132514EN300-6763432Z27903075311H-Imidazole-1-ethanol, alpha-(methoxymethyl)-2-nitro-, (S)-
Database identifiers
- CAS
95120-45-9、95120-46-0- PubChem CID
- 73050801
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…