ChemSpider 2D Image | thelephantin B | C31H28O9

thelephantin B

  • Molecular FormulaC31H28O9
  • Average mass544.549 Da
  • Monoisotopic mass544.173340 Da
  • ChemSpider ID4479545

More details:

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

4-Hydroxybenzoate de 5'-(hexanoyloxy)-3',4,4'',6'-tétrahydroxy-1,1':4',1''-terphényl-2'-yle [French] [ACD/IUPAC Name]
5'-(Hexanoyloxy)-3',4,4'',6'-tetrahydroxy-1,1':4',1''-terphenyl-2'-yl 4-hydroxybenzoate [ACD/IUPAC Name]
5'-(Hexanoyloxy)-3',4,4'',6'-tetrahydroxy-1,1':4',1''-terphenyl-2'-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, 3',4,4'',6'-tetrahydroxy-5'-[(1-oxohexyl)oxy][1,1':4',1''-terphenyl]-2'-yl ester [ACD/Index Name]
thelephantin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 802.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 263.9±27.8 °C
Index of Refraction: 1.654
Molar Refractivity: 146.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3225.33
ACD/KOC (pH 5.5): 11222.03
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 854.05
ACD/KOC (pH 7.4): 2971.52
Polar Surface Area: 154 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 399.2±3.0 cm3

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