ChemSpider 2D Image | (5xi,9xi,10alpha)-Kaur-16-en-18-oic acid | C20H30O2

(5ξ,9ξ,10α)-Kaur-16-en-18-oic acid

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID22913044

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(5ξ,9ξ,10α)-Kaur-16-en-18-oic acid [ACD/IUPAC Name]
(5ξ,9ξ,10α)-Kaur-16-en-18-säure [German] [ACD/IUPAC Name]
Acide (5ξ,9ξ,10α)-kaur-16-én-18-oïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.6±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 202.8±20.3 °C
Index of Refraction: 1.550
Molar Refractivity: 87.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 3362.47
ACD/KOC (pH 5.5): 6603.89
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 53.22
ACD/KOC (pH 7.4): 104.53
Polar Surface Area: 37 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 274.9±5.0 cm3

Click to predict properties on the Chemicalize site


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