Basic information
- CAS
115116-22-8- Standard SMILES
OC1C(O)C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1- InChIKey
VQNWAWRYJQHLAV-UHFFFAOYSA-N- Molecular formula
- C34H36O6
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.25118886
Names & identifiers
- Preferred name
- 3,4,5,6-Tetrakis(benzyloxy)-1,2-cyclohexanediol
- IUPAC
- 3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
- English name
- 3,4,5,6-Tetrakis(benzyloxy)-1,2-cyclohexanediol
- Molecular formula
- C34H36O6
- Molecular weight
- 540.65
Names & synonyms
115116-22-83,4,5,6-tetrakis(benzyloxy)-1,2-cyclohexanediol3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol3,4,5,6-tetra-o-benzyl-myo-inositolmyo-Inositol,1,2,5,6-tetrakis-O-(phenylmethyl)- (9CI)Tetrobenzylic myo-inositolmyo-Inositol, 1,2,5,6-tetrakis-O-(phenylmethyl)-24558-77-83,4,5,6-tetrakis(benzyloxy)cyclohexane-1,2-diolSCHEMBL31175740DTXSID40407397MFCD04037537
Show more names
TETRABENZYLIC MYO-INOSITOL
3,4,5,6-tetrabenzyloxycyclohexane-1,2-diolAQ-364/41885138
Database identifiers
- CAS
115116-22-8- PubChem CID
- 5000346
- DTXSID
DTXSID40407397
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- Melting point
- 167 · 167-169 °C
- Boiling point
- 665 · 665.0±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 12.79 · 12.79±0.70(Predicted)
Chemistry & industry
Applications
UsesTetrobenzylic Myo-inositol is used as a reactant in the synthesis of differentially substituted silyloxy myo-inositol derivatives.
Suppliers2 total
SPECS[email protected]
SINOVA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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