b-Phenylethyl b-D-Glucoside Tetraacetate
Basic information
- CAS
76870-87-6- Standard SMILES
CC(=O)OCC1OC(OCCc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
PEYJPADBUUEUGM-UHFFFAOYSA-N- Molecular formula
- C22H28O10
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.16824709
Names & identifiers
- Preferred name
- b-Phenylethyl b-D-Glucoside Tetraacetate
- IUPAC
- [3,4,5-triacetyloxy-6-(2-phenylethoxy)oxan-2-yl]methyl acetate
- English name
- β-Phenylethyl β-D-Glucoside
- Molecular formula
- C22H28O10
- Molecular weight
- 452.45
Names & synonyms
76870-87-6NSC231829[3,4,5-triacetyloxy-6-(2-phenylethoxy)oxan-2-yl]methyl acetateb-Phenylethyl b-D-Glucoside Tetraacetatebeta-Phenylethyl beta-D-Glucoside Tetraacetatebeta-Phenylethyl beta-D-Glucoside 2,3,4,6-Tetraacetate; 2-Phenylethyl-2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside; NSC 231829DTXSID80310795NSC-2318292-Phenylethyl 2,3,4,6-tetra-O-acetylhexopyranosideβ-Phenylethyl β-D-Glucoside Tetraacetateβ-D-Glucopyranoside, 2-phenylethyl, 2,3,4,6-tetraacetate
Database identifiers
- CAS
76870-87-6- PubChem CID
- 314402
- DTXSID
DTXSID80310795
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- Melting point
- 72 · 72-74 °C(Solvent: Dichloromethane; Hexane)
- Boiling point
- 509.988 · 509.988±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.257 · 1.257±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Dichloromethane
- form
- Solid
- color
- White
Chemistry & industry
Applications
Usesβ-Phenylethyl β-D-Glucoside (P320865) derivative. A flavour precursor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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