ChemSpider 2D Image | (5xi,8xi,10alpha,13alpha)-16-Fluoropimar-9(11)-en-18-oic acid | C20H31FO2

(5ξ,8ξ,10α,13α)-16-Fluoropimar-9(11)-en-18-oic acid

  • Molecular FormulaC20H31FO2
  • Average mass322.457 Da
  • Monoisotopic mass322.230804 Da
  • ChemSpider ID23224506

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5ξ,8ξ,10α,13α)-16-Fluoropimar-9(11)-en-18-oic acid [ACD/IUPAC Name]
(5ξ,8ξ,10α,13α)-16-Fluorpimar-9(11)-en-18-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 7-(2-fluoroethyl)-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R,4aR,7S)- [ACD/Index Name]
Acide (5ξ,8ξ,10α,13α)-16-fluoropimar-9(11)-én-18-oïque [French] [ACD/IUPAC Name]
(1R,4aR,7S)-7-(2-Fluoro-ethyl)-1,4a,7-trimethyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid
CHEMBL151859

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 215.2±21.8 °C
Index of Refraction: 1.519
Molar Refractivity: 90.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 2451.55
ACD/KOC (pH 5.5): 5228.52
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 38.75
ACD/KOC (pH 7.4): 82.64
Polar Surface Area: 37 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 296.2±5.0 cm3

Click to predict properties on the Chemicalize site


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