ChemSpider 2D Image | (5beta,8alpha,9beta,13alpha)-13-Hydroxykaur-16-en-18-oic acid | C20H30O3

(5β,8α,9β,13α)-13-Hydroxykaur-16-en-18-oic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID77480497

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5β,8α,9β,13α)-13-Hydroxykaur-16-en-18-oic acid [ACD/IUPAC Name]
(5β,8α,9β,13α)-13-Hydroxykaur-16-en-18-säure [German] [ACD/IUPAC Name]
Acide (5β,8α,9β,13α)-13-hydroxykaur-16-én-18-oïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 464.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 248.8±25.2 °C
Index of Refraction: 1.569
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 182.20
ACD/KOC (pH 5.5): 791.25
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 12.45
Polar Surface Area: 58 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 272.1±5.0 cm3

Click to predict properties on the Chemicalize site


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