[3,4-Dibenzoyloxy-5-(4-chlorotriazolo[4,5-c]pyridin-3-yl)oxolan-2-yl]methyl benzoate
Basic information
- CAS
57680-37-2- Standard SMILES
O=C(OCC1OC(n2nnc3ccnc(Cl)c32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
JAHSWNXLXHMRBU-UHFFFAOYSA-N- Molecular formula
- C31H23ClN4O7
- Average molar mass
- 599 g/mol
- Monoisotopic mass
- 598.1255268
Names & identifiers
- Preferred name
- [3,4-Dibenzoyloxy-5-(4-chlorotriazolo[4,5-c]pyridin-3-yl)oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-(4-chlorotriazolo[4,5-c]pyridin-3-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
57680-37-2NSC220966[3,4-dibenzoyloxy-5-(4-chlorotriazolo[4,5-c]pyridin-3-yl)oxolan-2-yl]methyl benzoateDTXSID60309980ZINC05215316NSC-2209664-Chloro-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-c]pyridine
Database identifiers
- CAS
57680-37-2- PubChem CID
- 312142
- DTXSID
DTXSID60309980
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 972
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Related reactions
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Compound notes
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