ChemSpider 2D Image | Benzoyl-beta-D-glucoside | C13H16O7

Benzoyl-β-D-glucoside

  • Molecular FormulaC13H16O7
  • Average mass284.262 Da
  • Monoisotopic mass284.089600 Da
  • ChemSpider ID18620219

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-Benzoyl-β-D-glucopyranose [ACD/IUPAC Name]
1-O-Benzoyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-Benzoyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
21056-52-0 [RN]
Benzoyl-β-D-glucoside [Wiki]
periplanetin
β-D-Glucopyranose, 1-benzoate [ACD/Index Name]
&β;-D-glucopyranose, 1-benzoate
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
benzenecarboxylic acid &β;-D-glucose ester
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 507.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 194.1±23.6 °C
Index of Refraction: 1.625
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.78
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.78
Polar Surface Area: 116 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 188.7±5.0 cm3

Click to predict properties on the Chemicalize site


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