ChemSpider 2D Image | thielavin Y | C28H28O10

thielavin Y

  • Molecular FormulaC28H28O10
  • Average mass524.516 Da
  • Monoisotopic mass524.168274 Da
  • ChemSpider ID61708663

More details:

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

4-({4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoyl}oxy)-2-hydroxy-6-methylbenzoesäure [German] [ACD/IUPAC Name]
4-({4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoyl}oxy)-2-hydroxy-6-methylbenzoic acid [ACD/IUPAC Name]
Acide 4-({4-[(2,4-dihydroxy-3,6-diméthylbenzoyl)oxy]-2-méthoxy-3,5,6-triméthylbenzoyl}oxy)-2-hydroxy-6-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester [ACD/Index Name]
thielavin Y

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

Density: 1.4±0.1 g/cm3
Boiling Point: 814.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 271.3±27.8 °C
Index of Refraction: 1.633
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 115.03
ACD/KOC (pH 5.5): 134.20
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 69.48
ACD/KOC (pH 7.4): 81.06
Polar Surface Area: 160 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

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