(2,3,4-Triacetyloxy-5,6-dihydroxycyclohexyl) acetate
Basic information
- CAS
90366-30-6- Standard SMILES
CC(=O)OC1C(O)C(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
ZQLBHQSQMQLFBM-UHFFFAOYSA-N- Molecular formula
- C14H20O10
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.10564683
Names & identifiers
- Preferred name
- (2,3,4-Triacetyloxy-5,6-dihydroxycyclohexyl) acetate
- IUPAC
- (2,3,4-triacetyloxy-5,6-dihydroxycyclohexyl) acetate
- English name
- 3,4,5,6-TETRA-O-ACETYL-MYO-INOSITOL
- Molecular formula
- C14H20O10
- Molecular weight
- 348.3
Names & synonyms
90366-30-6(2,3,4-triacetyloxy-5,6-dihydroxycyclohexyl) acetate(2,3,4-triacetyloxy-5,6-dihydroxy-cyclohexyl) acetate80953-32-8NSC2694051,4,5,6-TetraacetateDTXSID30313357AKOS030243009MT16863NSC-2694055,6-Dihydroxycyclohexane-1,2,3,4-tetrayl tetraacetatemyo-Inositol, 1,4,5,6-tetraacetate
Show more names
3,4,5,6-TETRA-O-ACETYL-MYO-INOSITOL
Database identifiers
- CAS
90366-30-6- PubChem CID
- 320732
- DTXSID
DTXSID30313357
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Melting point
- 112 · 112-117°C
- Boiling point
- 402.4 · 402.4±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform
- pka
- 12.3 · 12.30±0.70(Predicted)
- form
- Solid
- color
- White
Chemistry & industry
Applications
Uses3,4,5,6-TETRA-O-ACETYL-MYO-INOSITOL is used in the synthesis of seven novel myo-inositol ferulic acid ester derivatives.
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Compound notes
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