ChemSpider 2D Image | Pentagalloylglucose | C41H32O26

Pentagalloylglucose

  • Molecular FormulaC41H32O26
  • Average mass940.677 Da
  • Monoisotopic mass940.118164 Da
  • ChemSpider ID18579456
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2,3,4,5,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)-D-glucose [ACD/IUPAC Name]
2,3,4,5,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)-D-glucose [German] [ACD/IUPAC Name]
2,3,4,5,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, 2,3,4,5,6-pentakis(3,4,5-trihydroxybenzoate) [ACD/Index Name]
Pentagalloylglucose
Pentagalloyl-β-D-glucose
14937-32-7 [RN]
2,3,4,5,6-pentagalloylglucose
50678-27-8 [RN]
glucose, 2,3,4,5,6-pentagalloyl-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1373.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 215.4±3.0 kJ/mol
Flash Point: 411.6±27.8 °C
Index of Refraction: 1.775
Molar Refractivity: 214.8±0.3 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 10.97
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 62842.38
ACD/KOC (pH 5.5): 94579.74
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 59074.94
ACD/KOC (pH 7.4): 88909.64
Polar Surface Area: 452 Å2
Polarizability: 85.2±0.5 10-24cm3
Surface Tension: 118.1±3.0 dyne/cm
Molar Volume: 514.3±3.0 cm3

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