ChemSpider 2D Image | cis-1,4-Cyclohexanediyl bis(3,4,5-trihydroxybenzoate) | C20H20O10

cis-1,4-Cyclohexanediyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC20H20O10
  • Average mass420.367 Da
  • Monoisotopic mass420.105652 Da
  • ChemSpider ID58885083

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzoic acid, 3,4,5-trihydroxy-, cis-1,4-cyclohexanediyl ester [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de cis-1,4-cyclohexanediyle [French] [ACD/IUPAC Name]
cis-1,4-Cyclohexandiyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
cis-1,4-Cyclohexanediyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 771.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 275.1±26.4 °C
Index of Refraction: 1.722
Molar Refractivity: 99.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.18
ACD/KOC (pH 5.5): 1301.53
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 78.96
ACD/KOC (pH 7.4): 649.67
Polar Surface Area: 174 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 107.0±5.0 dyne/cm
Molar Volume: 250.8±5.0 cm3

Click to predict properties on the Chemicalize site


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