Basic information
- Standard SMILES
OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O- InChIKey
BSDCIRGNJKZPFV-GWOFURMSSA-N- Molecular formula
- C12H11Cl3N2O4
- Average molar mass
- 353.6 g/mol
Names & identifiers
- Preferred name
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
Names & synonyms
TCRB2,5,6-Trichloro-1-(beta-D-ribofuranosyl)benzimidazoleNSC 145391CHEMBL513232SCHEMBL1624780UMJD-853SCHEMBL29358814BSDCIRGNJKZPFV-GWOFURMSSA-N(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol2,5,6-Trichloro-1-.beta.-D-ribofuranosylbenzimidazole(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-3,4-diol
Database identifiers
- PubChem CID
- 465095
- ChEMBL
CHEMBL513232- Nikkaji
- J548.790K
Properties
Computed structural properties
- XLogP
- 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
- 394
Related reactions
3 records
Compound notes
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