ChemSpider 2D Image | 1-O-(3,4-Dihydroxybenzoyl)-beta-D-glucopyranose | C13H16O9

1-O-(3,4-Dihydroxybenzoyl)-β-D-glucopyranose

  • Molecular FormulaC13H16O9
  • Average mass316.261 Da
  • Monoisotopic mass316.079437 Da
  • ChemSpider ID64808259

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-(3,4-Dihydroxybenzoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-(3,4-Dihydroxybenzoyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-(3,4-Dihydroxybenzoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-(3,4-dihydroxybenzoate) [ACD/Index Name]
1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose
1-(3,4-dihydroxybenzoyl)-β-D-glucose
1-O-(3,4-dihydroxybenzoyl)-β-D-glucose
1-O-(3,4-dihydroxy-benzoyl)-β-D-glucose
1-O-protocatechuoyl-β-D-glucopyranose
1-O-protocatechuoyl-β-D-glucose
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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: 651.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 248.5±25.0 °C
Index of Refraction: 1.690
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.83
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.57
Polar Surface Area: 157 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 108.1±5.0 dyne/cm
Molar Volume: 182.6±5.0 cm3

Click to predict properties on the Chemicalize site


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