ChemSpider 2D Image | Thielavin A | C29H30O10

Thielavin A

  • Molecular FormulaC29H30O10
  • Average mass538.542 Da
  • Monoisotopic mass538.183899 Da
  • ChemSpider ID168701

More details:

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

4-({4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,5,6-trimethylbenzoyl}oxy)-2-hydroxy-3,5,6-trimethylbenzoesäure [German] [ACD/IUPAC Name]
4-({4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,5,6-trimethylbenzoyl}oxy)-2-hydroxy-3,5,6-trimethylbenzoic acid [ACD/IUPAC Name]
71950-66-8 [RN]
Acide 4-({4-[(2,4-dihydroxy-3,6-diméthylbenzoyl)oxy]-2-hydroxy-3,5,6-triméthylbenzoyl}oxy)-2-hydroxy-3,5,6-triméthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,5,6-trimethyl-, 4-carboxy-3-hydroxy-2,5,6-trimethylphenyl ester [ACD/Index Name]
Thielavin A
4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,5,6-trimethyl-benzoic acid, 4-carboxy-3-hydroxy-2,5,6-trimethylphenyl ester
4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid
92858-56-5 [RN]
Benzoic acid, 4-((2,4-dihydroxy-3,6-dimethylbenzoyl)oxy)-2-hydroxy-3,5,6-trimethyl-, 4-carboxy-3-hydroxy-2,5,6-trimethylphenyl ester
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 850.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 281.0±27.8 °C
Index of Refraction: 1.646
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 603.07
ACD/KOC (pH 5.5): 441.77
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 208.45
ACD/KOC (pH 7.4): 152.70
Polar Surface Area: 171 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 392.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement