Basic information
- CAS
5345-82-4- Standard SMILES
OC1COC(c2ccccc2)OC1C(O)C1OC(c2ccccc2)OCC1O- InChIKey
CRZDEJKBLBCLAU-UHFFFAOYSA-N- Molecular formula
- C21H24O7
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.1522031
Names & identifiers
- Preferred name
- 1,3:5,7-O-Dibenzylidene perseitol
- IUPAC
- 4-[hydroxy-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)methyl]-2-phenyl-1,3-dioxan-5-ol
Names & synonyms
MLS002637588NSC17501,3:5,7-O-Dibenzylidene perseitol5345-82-4CHEMBL1889623CRZDEJKBLBCLAU-UHFFFAOYSA-NHMS3091E15NSC-1750SMR0015471181,3:5,7-D-O-ibenzylidene-d,l-perseitol1,7-DI-O-BENZYLIDENE-D-GLYCERO-D-GALACTO-HEPTITOL1,3:5,7-DI-O-BENZYLIDENE-D-GLYCERO-D-GALACTO-HEPTITOL
Database identifiers
- CAS
5345-82-4- PubChem CID
- 219930
- ChEMBL
CHEMBL1889623
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…