ChemSpider 2D Image | 1-O-(2-Hydroxybenzoyl)-beta-D-glucopyranose | C13H16O8

1-O-(2-Hydroxybenzoyl)-β-D-glucopyranose

  • Molecular FormulaC13H16O8
  • Average mass300.261 Da
  • Monoisotopic mass300.084503 Da
  • ChemSpider ID57558889

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-(2-Hydroxybenzoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-(2-Hydroxybenzoyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-(2-Hydroxybenzoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-(2-hydroxybenzoate) [ACD/Index Name]
&β;-D-glucopyranose, 1-(2-hydroxybenzoate)
1-O-(o-hydroxybenzoyl)-β-D-glucopyranose
1-O-salicyl-β-D-glucose
2-hydroxybenzoic acid glucose ester
60517-74-0 [RN]
-D-glucose ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 531.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 202.6±23.6 °C
Index of Refraction: 1.657
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 43.98
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 33.40
Polar Surface Area: 137 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 185.7±5.0 cm3

Click to predict properties on the Chemicalize site


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