3,5-Dimethoxyphenyl alpha-D-glucopyranoside
Basic information
- CAS
90-71-1- Standard SMILES
COc1cc(OC)cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1- InChIKey
JDTIMXKVYWJWHE-RGDJUOJXSA-N- Molecular formula
- C14H20O8
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.11581759
Names & identifiers
- Preferred name
- 3,5-Dimethoxyphenyl alpha-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5S,6R)-2-(3,5-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- TAXICATIN
- Molecular formula
- C14H20O8
- Molecular weight
- 316.31
Names & synonyms
SCHEMBL59871573,5-Dimethoxyphenyl alpha-D-glucopyranoside3,5-Dimethoxyphenyl β-D-glucopyranosideβ-D-Glucopyranoside, 3,5-dimethoxyphenyl
Database identifiers
- CAS
90-71-1- PubChem CID
- 20055045
- DTXSID
DTXSID30877606
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 170 · 170-170.5°
- alpha
- 20 · D20 -72° (0.12 g/10 ml of aq soln)
- Boiling point
- 554.5 · 554.5±50.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 12.79 · 12.79±0.70(Predicted)
- FDA UNII
- 34 E0338PZ · B34E0338PZ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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