(2R,3R,4S,5R)-2-(5,6-dibromo-2-chloro-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Basic information
- Standard SMILES
OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Br)c(Br)cc32)[C@H](O)[C@@H]1O- InChIKey
HPWYFUNPKRVJJO-GWOFURMSSA-N- Molecular formula
- C12H11Br2ClN2O4
- Average molar mass
- 442.49 g/mol
- Monoisotopic mass
- 439.87741
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-(5,6-dibromo-2-chloro-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- IUPAC
- (2R,3R,4S,5R)-2-(5,6-dibromo-2-chlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
SCHEMBL8189597HPWYFUNPKRVJJO-GWOFURMSSA-N2-chloro-5,6-dibromo-1-(beta-D-ribofuranosyl)benzimidazole5,6-Dibromo-2-chloro-1-.beta.-D-ribofuranosylbenzimidazole(2R,3R,4S,5R)-2-(5,6-dibromo-2-chloro-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Database identifiers
- PubChem CID
- 469424
- Nikkaji
- J813.773K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
1 records
Compound notes
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