ChemSpider 2D Image | (3alpha,5beta,8alpha,10alpha,13alpha)-3-Hydroxykaura-9(11),16-dien-18-oic acid | C20H28O3

(3α,5β,8α,10α,13α)-3-Hydroxykaura-9(11),16-dien-18-oic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID30657435

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3α,5β,8α,10α,13α)-3-Hydroxykaura-9(11),16-dien-18-oic acid [ACD/IUPAC Name]
(3α,5β,8α,10α,13α)-3-Hydroxykaura-9(11),16-dien-18-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,8α,10α,13α)-3-hydroxykaura-9(11),16-dién-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: 489.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.1±6.0 kJ/mol
Flash Point: 264.2±25.2 °C
Index of Refraction: 1.584
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 137.37
ACD/KOC (pH 5.5): 525.82
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 8.61
Polar Surface Area: 58 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

Click to predict properties on the Chemicalize site


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