ChemSpider 2D Image | (5beta,9beta,16beta)-16-Hydroxykauran-19-oic acid | C20H32O3

(5β,9β,16β)-16-Hydroxykauran-19-oic acid

  • Molecular FormulaC20H32O3
  • Average mass320.466 Da
  • Monoisotopic mass320.235138 Da
  • ChemSpider ID58842194
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(5β,9β,16β)-16-Hydroxykauran-19-oic acid [ACD/IUPAC Name]
(5β,9β,16β)-16-Hydroxykauran-19-säure [German] [ACD/IUPAC Name]
Acide (5β,9β,16β)-16-hydroxykauran-19-oïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 458.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 245.4±23.3 °C
Index of Refraction: 1.559
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 310.50
ACD/KOC (pH 5.5): 1172.21
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 18.48
Polar Surface Area: 58 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 277.6±5.0 cm3

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