(5,6,7-Triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
Basic information
- CAS
26276-98-2- Standard SMILES
CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C2OC(C)(C)OC2C1OC(C)=O- InChIKey
XSWHBVWGSAGKTQ-UHFFFAOYSA-N- Molecular formula
- C17H24O10
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.13694696
Names & identifiers
- Preferred name
- (5,6,7-Triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
- IUPAC
- (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
- English name
- NSC 269406
- Molecular formula
- C17H24O10
- Molecular weight
- 388.37
Names & synonyms
26276-98-2(5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetateNSC 269406NSC269406DTXSID10949138NSC-2694062,2-Dimethylhexahydro-2H-1,3-benzodioxole-4,5,6,7-tetrayl tetraacetate1,2-Isopropylidene D,L-Myo-Inositol Tetraacetate1,2-O-(1-Methylethylidene)-DL-Myo-inositol Tetraacetatemyo-Inositol, 1,2-O-(1-methylethylidene)-, 3,4,5,6-tetraacetate
Database identifiers
- CAS
26276-98-2- PubChem CID
- 320733
- DTXSID
DTXSID10949138
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Melting point
- 122 · 122-123 °C(Solv: ethanol (64-17-5))
- Boiling point
- 420.9 · 420.9±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- form
- Powder
- color
- White
Chemistry & industry
Applications
UsesInositol derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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