Basic information
- CAS
83354-78-3- Standard SMILES
O=C(c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(C(F)(F)F)cc1- InChIKey
JGOYJYZVZGDLAZ-SPUZQDLCSA-N- Molecular formula
- C19H17F3O6
- Average molar mass
- 398.3 g/mol
- Monoisotopic mass
- 398.09772274
Names & identifiers
- Preferred name
- Methanone, (4-(trifluoromethyl)phenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-
- IUPAC
- [4-(trifluoromethyl)phenyl]-[4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone
Names & synonyms
Methanone, (4-(trifluoromethyl)phenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-(4-(Trifluoromethyl)phenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone83354-78-3DTXSID20232280RefChem:352674DTXCID20154771CHEMBL1724724-[4-(Trifluoromethyl)benzoyl]phenyl beta-D-xylopyranoside
Database identifiers
- CAS
83354-78-3- PubChem CID
- 3068321
- DTXSID
DTXSID20232280- ChEMBL
CHEMBL172472- Nikkaji
- J571.364A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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