Basic information
- CAS
104939-15-3- Standard SMILES
COCC(O)CN1C(N)=NC(O)C1O- InChIKey
UGQVZFJNVWOGMR-UHFFFAOYSA-N- Molecular formula
- C7H15N3O4
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.10625597
Overview
stable reduction product of misonidazole; structure given in first source
Names & identifiers
- Preferred name
- 2-Amino-4,5-dihydro-4,5-dihydroxy-1-(2'-hydroxy-3'-methoxy-1'-propyl)imidazole
- IUPAC
- 2-amino-1-(2-hydroxy-3-methoxypropyl)-4,5-dihydroimidazole-4,5-diol
- English name
- 2-amino-4,5-dihydro-4,5-dihydroxy-1-(2'-hydroxy-3'-methoxy-1'-propyl)imidazole
- Molecular weight
- 0
Names & synonyms
Miso-ddi104939-15-32-Amino-4,5-dihydro-4,5-dihydroxy-1-(2'-hydroxy-3'-methoxy-1'-propyl)imidazoleRefChem:851511H-Imidazole-4,5-diol, 2-amino-4,5-dihydro-1-(2-hydroxy-3-methoxypropyl)-2-amino-1-(2-hydroxy-3-methoxypropyl)-4,5-dihydroimidazole-4,5-diolNCI60_006425CHEMBL2010561DTXSID509092761-(2-Hydroxy-3-methoxypropyl)-2-iminoimidazolidine-4,5-diol
Database identifiers
- CAS
104939-15-3- PubChem CID
- 128709
- DTXSID
DTXSID50909276- ChEMBL
CHEMBL2010561
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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