ChemSpider 2D Image | 4-(beta-D-Glucopyranosyloxy)benzyl 3-hydroxy-4-methoxybenzoate | C21H24O10

4-(β-D-Glucopyranosyloxy)benzyl 3-hydroxy-4-methoxybenzoate

  • Molecular FormulaC21H24O10
  • Average mass436.409 Da
  • Monoisotopic mass436.136932 Da
  • ChemSpider ID84487553

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Hydroxy-4-méthoxybenzoate de 4-(β-D-glucopyranosyloxy)benzyle [French] [ACD/IUPAC Name]
4-(β-D-Glucopyranosyloxy)benzyl 3-hydroxy-4-methoxybenzoate [ACD/IUPAC Name]
4-(β-D-Glucopyranosyloxy)benzyl-3-hydroxy-4-methoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3-hydroxy-4-methoxy-, [4-(β-D-glucopyranosyloxy)phenyl]methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 715.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 251.0±26.4 °C
Index of Refraction: 1.637
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.14
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 49.17
Polar Surface Area: 155 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 297.5±3.0 cm3

Click to predict properties on the Chemicalize site


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