ChemSpider 2D Image | 2-(β-D-Glucopyranosyloxy)-5-hydroxybenzoic acid | C13H16O9

2-(β-D-Glucopyranosyloxy)-5-hydroxybenzoic acid

  • Molecular FormulaC13H16O9
  • Average mass316.261 Da
  • Monoisotopic mass316.079437 Da
  • ChemSpider ID76962931

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(β-D-Glucopyranosyloxy)-5-hydroxybenzoic acid
2-(β-D-Glucopyranosyloxy)-5-hydroxybenzoesäure [German] [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)-5-hydroxybenzoic acid [ACD/IUPAC Name]
98102-34-2 [RN]
Acide 2-(β-D-glucopyranosyloxy)-5-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(β-D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
2-(β-D-glucopyranosyl)gentisic acid
2-(β-D-glucosyl)gentisic acid
2-(β-D-glucosyloxy)-5-hydroxybenzoic acid
2,5-dihydroxybenzoic acid 2-β-D-glucoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 257.7±25.0 °C
Index of Refraction: 1.679
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 187.5±3.0 cm3

Click to predict properties on the Chemicalize site


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