Basic information
- CAS
83355-19-5- Standard SMILES
Cc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(C(=O)c2ccccc2C)c1- InChIKey
DIJILNYBBGBSNM-NMLACTOBSA-N- Molecular formula
- C20H22O6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14163842
Names & identifiers
- Preferred name
- Methanone, (2-methylphenyl)(5-methyl-2-(beta-D-xylopyranosyloxy)phenyl)-
- IUPAC
- (2-methylphenyl)-[5-methyl-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone
Names & synonyms
Methanone, (2-methylphenyl)(5-methyl-2-(beta-D-xylopyranosyloxy)phenyl)-(2-Methylphenyl)(5-methyl-2-(beta-D-xylopyranosyloxy)phenyl)methanone83355-19-5DTXSID60232289RefChem:352616DTXCID10154780CHEMBL1702494-Methyl-2-(2-methylbenzoyl)phenyl beta-D-xylopyranoside
Database identifiers
- CAS
83355-19-5- PubChem CID
- 3068331
- DTXSID
DTXSID60232289- ChEMBL
CHEMBL170249- Nikkaji
- J571.373K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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