[3,4,5-Triacetyloxy-6-(2-methylphenoxy)oxan-2-yl]methyl acetate
Basic information
- CAS
5346-66-7- Standard SMILES
CC(=O)OCC1OC(Oc2ccccc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
XVGNADCCCZEHRJ-UHFFFAOYSA-N- Molecular formula
- C21H26O10
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.15259702
Names & identifiers
- Preferred name
- [3,4,5-Triacetyloxy-6-(2-methylphenoxy)oxan-2-yl]methyl acetate
- IUPAC
- [3,4,5-triacetyloxy-6-(2-methylphenoxy)oxan-2-yl]methyl acetate
- English name
- 2-Methylphenyl β-D-glucopyranoside 2,3,4,6-tetraacetate
- Molecular formula
- C21H26O10
- Molecular weight
- 438.43
Names & synonyms
2-Methylphenyl 2,3,4,6-tetra-O-acetylhexopyranoside5346-66-7[3,4,5-triacetyloxy-6-(2-methylphenoxy)oxan-2-yl]methyl acetateNSC1660DTXSID60968157NSC-1660AKOS030494797o-Cresol-.beta.-D-glucoside tetraacetate(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-(o-tolyloxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate2-Methylphenyl β-D-glucopyranoside 2,3,4,6-tetraacetateβ-D-Glucopyranoside, 2-methylphenyl, 2,3,4,6-tetraacetate
Database identifiers
- CAS
5346-66-7- PubChem CID
- 219880
- DTXSID
DTXSID60968157
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 663
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 502 · 502.0±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
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Compound notes
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