ChemSpider 2D Image | Amorfrutin B | C26H32O4

Amorfrutin B

  • Molecular FormulaC26H32O4
  • Average mass408.530 Da
  • Monoisotopic mass408.230072 Da
  • ChemSpider ID22936667

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(3,7-dimethyloctyl)-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid
3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoesäure [German] [ACD/IUPAC Name]
3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid [ACD/IUPAC Name]
78916-42-4 [RN]
Acide 3-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-2-hydroxy-4-méthoxy-6-(2-phényléthyl)benzoïque [French] [ACD/IUPAC Name]
Amorfrutin B
Benzoic acid, 3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)- [ACD/Index Name]
3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)-benzoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 179.3±23.6 °C
Index of Refraction: 1.575
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 955.94
ACD/KOC (pH 5.5): 744.87
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 458.71
ACD/KOC (pH 7.4): 357.42
Polar Surface Area: 67 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 369.6±3.0 cm3

Click to predict properties on the Chemicalize site


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