ChemSpider 2D Image | Glucogallin | C13H16O10

Glucogallin

  • Molecular FormulaC13H16O10
  • Average mass332.260 Da
  • Monoisotopic mass332.074341 Da
  • ChemSpider ID26333268

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
(2S,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
1-Galloylglucose
1-Galloyl-β-glucose
1-O-galloyl-β-D-glucose
3,4,5-Trihydroxybenzoate de (2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-méthoxytétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]
Glucogallin [Wiki]
β-glucogallin
β-glucogallin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 681.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 258.4±25.0 °C
Index of Refraction: 1.685
Molar Refractivity: 71.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 40.90
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.32
Polar Surface Area: 166 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 108.4±5.0 dyne/cm
Molar Volume: 188.2±5.0 cm3

Click to predict properties on the Chemicalize site


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