ChemSpider 2D Image | 2,4,6-Tri-O-galloyl-D-glucose | C27H24O18

2,4,6-Tri-O-galloyl-D-glucose

  • Molecular FormulaC27H24O18
  • Average mass636.469 Da
  • Monoisotopic mass636.096252 Da
  • ChemSpider ID168960

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,4,6-Tri-O-galloyl-D-glucose
2,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-D-glucose [ACD/IUPAC Name]
2,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-D-glucose [German] [ACD/IUPAC Name]
2,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, 2,4,6-tris(3,4,5-trihydroxybenzoate) [ACD/Index Name]
108043-99-8 [RN]
2,4,6-Tgdg
2,4,6-tri-O-galloylglucose
glucose, 2,4,6-tri-O-galloyl-

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1108.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.8±3.0 kJ/mol
Flash Point: 363.4±27.8 °C
Index of Refraction: 1.747
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.60
ACD/KOC (pH 5.5): 364.04
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.08
ACD/KOC (pH 7.4): 343.21
Polar Surface Area: 319 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 114.5±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

Click to predict properties on the Chemicalize site


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