ChemSpider 2D Image | thelephantin A | C29H24O9

thelephantin A

  • Molecular FormulaC29H24O9
  • Average mass516.495 Da
  • Monoisotopic mass516.142029 Da
  • ChemSpider ID4479544

More details:

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

4-Hydroxybenzoate de 5'-(butyryloxy)-3',4,4'',6'-tétrahydroxy-1,1':4',1''-terphényl-2'-yle [French] [ACD/IUPAC Name]
5'-(Butyryloxy)-3',4,4'',6'-tetrahydroxy-1,1':4',1''-terphenyl-2'-yl 4-hydroxybenzoate [ACD/IUPAC Name]
5'-(Butyryloxy)-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-oxobutoxy)[1,1':4',1''-terphenyl]-2'-yl ester [ACD/Index Name]
thelephantin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 795.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 266.6±26.4 °C
Index of Refraction: 1.672
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 502.70
ACD/KOC (pH 5.5): 2966.53
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 133.62
ACD/KOC (pH 7.4): 788.50
Polar Surface Area: 154 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 366.2±3.0 cm3

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