ChemSpider 2D Image | 3-(β-D-Glucopyranosyloxy)-4,5-dihydroxybenzoic acid | C13H16O10

3-(β-D-Glucopyranosyloxy)-4,5-dihydroxybenzoic acid

  • Molecular FormulaC13H16O10
  • Average mass332.260 Da
  • Monoisotopic mass332.074341 Da
  • ChemSpider ID29318097

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(β-D-Glucopyranosyloxy)-4,5-dihydroxybenzoic acid
3-(β-D-Glucopyranosyloxy)-4,5-dihydroxybenzoesäure [German] [ACD/IUPAC Name]
3-(β-D-Glucopyranosyloxy)-4,5-dihydroxybenzoic acid [ACD/IUPAC Name]
91984-84-8 [RN]
Acide 3-(β-D-glucopyranosyloxy)-4,5-dihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(β-D-glucopyranosyloxy)-4,5-dihydroxy- [ACD/Index Name]
3-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-benzoic acid
Gallic acid 3-O-β-D-glucopyranoside
Gallic acid 3-O-β-D-glucopyranoside, Min.
Gallic acid 3-O-β-D-glucopyranoside,5-dihydroxy-benzoic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 718.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 272.3±26.4 °C
Index of Refraction: 1.710
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -3.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 101.0±3.0 dyne/cm
Molar Volume: 185.9±3.0 cm3

Click to predict properties on the Chemicalize site


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