Basic information
- CAS
66657-07-6- Standard SMILES
O=C(OCC1OC(n2cnc3c(=O)[nH][nH]c(=O)c32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
SXAQBVNKHBZDAS-UHFFFAOYSA-N- Molecular formula
- C31H24N4O9
- Average molar mass
- 596.5 g/mol
- Monoisotopic mass
- 596.15432836
Names & identifiers
- Preferred name
- [3,4-Dibenzoyloxy-5-(4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-3-yl)oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-(4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-3-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
NSC37039566657-07-6DTXSID30321114NSC-3703951-(2,3,5-Tri-O-benzoylpentofuranosyl)-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
Database identifiers
- CAS
66657-07-6- PubChem CID
- 340239
- DTXSID
DTXSID30321114
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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