Basic information
- CAS
40656-70-0- Standard SMILES
OCC1OC(n2cnc3c(Cl)nc(Cl)cc32)C(O)C1O- InChIKey
VPKNMXZYYVWGCK-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2N3O4
- Average molar mass
- 320.13 g/mol
- Monoisotopic mass
- 319.0126612
Names & identifiers
- Preferred name
- 4,6-Dichloro-1-pentofuranosyl-1H-imidazo[4,5-c]pyridine
- IUPAC
- 2-(4,6-dichloroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
40656-70-0NSC1666074,6-Dichloro-1-pentofuranosyl-1H-imidazo[4,5-c]pyridineDTXSID00961046NSC-1666075172-36-1
Database identifiers
- CAS
40656-70-0- PubChem CID
- 296449
- DTXSID
DTXSID00961046
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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