Basic information
- CAS
40089-79-0- Standard SMILES
Cc1nc2ncn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2nc1C- InChIKey
RMLZKIWRJPZFNJ-UHFFFAOYSA-N- Molecular formula
- C33H28N4O7
- Average molar mass
- 592.6 g/mol
- Monoisotopic mass
- 592.19579924
Names & identifiers
- Preferred name
- 5,6-Dimethyl-1-(2,3,5-tri-o-benzoylpentofuranosyl)-1h-imidazo[4,5-b]pyrazine
- IUPAC
- [3,4-dibenzoyloxy-5-(5,6-dimethylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
40089-79-05,6-dimethyl-1-(2,3,5-tri-o-benzoylpentofuranosyl)-1h-imidazo[4,5-b]pyrazineNSC154827DTXSID30302882ZINC05121298NSC-154827
Database identifiers
- CAS
40089-79-0- PubChem CID
- 290691
- DTXSID
DTXSID30302882
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 997
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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