ChemSpider 2D Image | Methyl 3-[2-(beta-D-glucopyranosyloxy)phenyl]propanoate | C16H22O8

Methyl 3-[2-(β-D-glucopyranosyloxy)phenyl]propanoate

  • Molecular FormulaC16H22O8
  • Average mass342.341 Da
  • Monoisotopic mass342.131470 Da
  • ChemSpider ID24664474

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-[2-(β-D-Glucopyranosyloxy)phényl]propanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-(β-D-glucopyranosyloxy)-, methyl ester [ACD/Index Name]
Methyl 3-[2-(β-D-glucopyranosyloxy)phenyl]propanoate [ACD/IUPAC Name]
Methyl-3-[2-(β-D-glucopyranosyloxy)phenyl]propanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 196.2±23.6 °C
Index of Refraction: 1.586
Molar Refractivity: 82.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.68
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.68
Polar Surface Area: 126 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 245.8±3.0 cm3

Click to predict properties on the Chemicalize site


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