Basic information
- CAS
6752-49-4- Standard SMILES
COC1CC(=O)C2OC(c3ccccc3)OCC2O1- InChIKey
UUNOJMADDVNEMA-UHFFFAOYSA-N- Molecular formula
- C14H16O5
- Average molar mass
- 264.27 g/mol
- Monoisotopic mass
- 264.09977361
Names & identifiers
- Preferred name
- Mls003107267
- IUPAC
- 6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
Names & synonyms
MLS0031072676752-49-4DTXSID20313144RefChem:357286DTXCID20264268NSC266495CHEMBL2004540NSC-266495SMR001822140Methyl 4,6-O-benzylidene-2-deoxyhexopyranosid-3-ulose
Database identifiers
- CAS
6752-49-4- PubChem CID
- 320172
- DTXSID
DTXSID20313144- ChEMBL
CHEMBL2004540
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…