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ChemSpider 2D Image | 2-(beta-D-Glucopyranosyloxy)benzyl salicylate | C20H22O9

2-(β-D-Glucopyranosyloxy)benzyl salicylate

  • Molecular FormulaC20H22O9
  • Average mass406.383 Da
  • Monoisotopic mass406.126373 Da
  • ChemSpider ID115040816

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(β-D-Glucopyranosyloxy)benzyl salicylate [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)benzylsalicylat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, [2-(β-D-glucopyranosyloxy)phenyl]methyl ester [ACD/Index Name]
Salicylate de 2-(β-D-glucopyranosyloxy)benzyle [French] [ACD/IUPAC 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: 630.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 223.0±25.0 °C
Index of Refraction: 1.653
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 106.09
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 3.89
ACD/KOC (pH 7.4): 86.83
Polar Surface Area: 146 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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