ChemSpider 2D Image | 1,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-alpha-D-erythro-hexopyranose | C27H24O18

1,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-α-D-erythro-hexopyranose

  • Molecular FormulaC27H24O18
  • Average mass636.469 Da
  • Monoisotopic mass636.096252 Da
  • ChemSpider ID115041628

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-α-D-erythro-hexopyranose [German] [ACD/IUPAC Name]
1,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-α-D-erythro-hexopyranose [ACD/IUPAC Name]
1,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-α-D-érythro-hexopyranose [French] [ACD/IUPAC Name]
α-D-erythro-Hexopyranose, 1,4,6-tris(3,4,5-trihydroxybenzoate) [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1103.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.9±3.0 kJ/mol
Flash Point: 363.0±27.8 °C
Index of Refraction: 1.823
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.75
ACD/KOC (pH 5.5): 355.66
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.38
ACD/KOC (pH 7.4): 336.85
Polar Surface Area: 311 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 160.4±5.0 dyne/cm
Molar Volume: 320.4±5.0 cm3

Click to predict properties on the Chemicalize site


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