(2R,3R,4S,5R)-2-(5,6-dichloro-2-methyl-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Basic information
- CAS
78621-34-8- Standard SMILES
Cc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
SSTOIILSNGGYOF-FDYHWXHSSA-N- Molecular formula
- C13H14Cl2N2O4
- Average molar mass
- 333.16 g/mol
- Monoisotopic mass
- 332.0330623
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-(5,6-dichloro-2-methyl-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- IUPAC
- (2R,3R,4S,5R)-2-(5,6-dichloro-2-methylbenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
78621-34-8T525636T 525636(2R,3R,4S,5R)-2-(5,6-Dichloro-2-methyl-1H-benzo[d]imidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol1H-Benzimidazole, 5,6-dichloro-2-methyl-1-beta-D-ribofuranosyl-(2R,3R,4S,5R)-2-(5,6-dichloro-2-methyl-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolCHEMBL1946175DTXSID702292211H-Benzimidazole, 5,6-dichloro-2-methyl-1-.beta.-D-ribofuranosyl-5,6-Dichloro-2-methyl-1-beta-D-ribofuranosyl-1H-1,3-benzimidazole
Database identifiers
- CAS
78621-34-8- PubChem CID
- 456982
- DTXSID
DTXSID70229221- ChEMBL
CHEMBL1946175
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 391
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Compound notes
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