ChemSpider 2D Image | Methyl 2-hydroxy-4-{[2-hydroxy-4-({2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoyl}oxy)-6-methylbenzoyl]oxy}-6-methylbenzoate | C34H30O13

Methyl 2-hydroxy-4-{[2-hydroxy-4-({2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoyl}oxy)-6-methylbenzoyl]oxy}-6-methylbenzoate

  • Molecular FormulaC34H30O13
  • Average mass646.594 Da
  • Monoisotopic mass646.168640 Da
  • ChemSpider ID78435833

More details:

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

2-Hydroxy-4-{[2-hydroxy-4-({2-hydroxy-4-[(2-hydroxy-4-méthoxy-6-méthylbenzoyl)oxy]-6-méthylbenzoyl}oxy)-6-méthylbenzoyl]oxy}-6-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoyl]oxy]-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester [ACD/Index Name]
Methyl 2-hydroxy-4-{[2-hydroxy-4-({2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoyl}oxy)-6-methylbenzoyl]oxy}-6-methylbenzoate [ACD/IUPAC Name]
Methyl-2-hydroxy-4-{[2-hydroxy-4-({2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoyl}oxy)-6-methylbenzoyl]oxy}-6-methylbenzoat [German] [ACD/IUPAC Name]
Aphthosin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 768.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 241.7±26.4 °C
Index of Refraction: 1.643
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 9.65
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 875282.44
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 18950.96
ACD/KOC (pH 7.4): 11068.72
Polar Surface Area: 195 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 460.4±3.0 cm3

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