ChemSpider 2D Image | 4-({2-Hydroxy-4-[(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy]-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid | C32H36O10

4-({2-Hydroxy-4-[(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy]-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid

  • Molecular FormulaC32H36O10
  • Average mass580.622 Da
  • Monoisotopic mass580.230835 Da
  • ChemSpider ID138856

More details:






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

4-({2-Hydroxy-4-[(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy]-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoesäure [German] [ACD/IUPAC Name]
4-({2-Hydroxy-4-[(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy]-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid [ACD/IUPAC Name]
Acide 4-({2-hydroxy-4-[(4-hydroxy-2-méthoxy-3,5,6-triméthylbenzoyl)oxy]-3,5,6-triméthylbenzoyl}oxy)-2-méthoxy-3,5,6-triméthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-[(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy]-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester [ACD/Index Name]
158792-23-5 [RN]
Benzoic acid, 2-hydroxy-4-((4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy)-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester
Benzoic acid, 2-hydroxy-4-((4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy)-3,5,6-trimethyl-,4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester

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

PS 990 [DBID]
PS-990 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 825.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 265.0±27.8 °C
Index of Refraction: 1.598
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 12029.48
ACD/KOC (pH 5.5): 8388.04
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 397.30
ACD/KOC (pH 7.4): 277.03
Polar Surface Area: 149 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 460.1±3.0 cm3

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