Basic information
- CAS
104445-28-5- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C1NC(CO)(CO)CO1- InChIKey
WOIDLDGHYKJEER-UHFFFAOYSA-N- Molecular formula
- C9H14N4O5
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.09641956
Names & identifiers
- Preferred name
- 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine
- IUPAC
- [4-(hydroxymethyl)-2-(1-methyl-5-nitroimidazol-2-yl)-1,3-oxazolidin-4-yl]methanol
- English name
- 2-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine
- Molecular weight
- 0
Names & synonyms
104445-28-52-(1-Methyl-5-nitroimidazolyl)-4,4-bis(hydroxymethyl)oxazolidine2-(1-Methyl-5-nitroimidazolyl)-4,4-bis-(hydroxymethyl)-oxazolidineCCRIS 5330BRN 3622180[4-(hydroxymethyl)-2-(1-methyl-5-nitroimidazol-2-yl)-1,3-oxazolidin-4-yl]methanol2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-4,4-oxazolidinedimethanol4,4-Oxazolidinedimethanol, 2-(1-methyl-5-nitro-1H-imidazol-2-yl)-DTXSID60908977[2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-1,3-oxazolidine-4,4-diyl]dimethanol
Database identifiers
- CAS
104445-28-5- PubChem CID
- 153223
- DTXSID
DTXSID60908977
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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