Iodine I 131 iodoerythronitroimidazole
Basic information
- CAS
179036-52-3- Standard SMILES
O=[N+]([O-])c1nccn1CC(O)C(O)C[131I]- InChIKey
KUKMENZMYIDZMK-KPKJHWAZSA-N- Molecular formula
- C7H10IN3O4
- Average molar mass
- 331.08 g/mol
- Monoisotopic mass
- 330.973257
Names & identifiers
- Preferred name
- Iodine I 131 iodoerythronitroimidazole
- IUPAC
- 1-(131I)iodo-4-(2-nitroimidazol-1-yl)butane-2,3-diol
Names & synonyms
179036-52-3Iodine I 131 iodoerythronitroimidazoleDTXSID109391701-(Iodo-131I)-4-(2-nitro-1H-imidazol-1-yl)-2,3-butanediol2,3-Butanediol, 1-(iodo-131I)-4-(2-nitro-1H-imidazol-1-yl)-1-(~131~I)Iodo-4-(2-nitro-1H-imidazol-1-yl)butane-2,3-diol
Database identifiers
- CAS
179036-52-3- PubChem CID
- 177342
- DTXSID
DTXSID10939170
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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