ChemSpider 2D Image | (5beta,9beta,13alpha)-Pimara-8(14),15-dien-19-oic acid | C20H30O2

(5β,9β,13α)-Pimara-8(14),15-dien-19-oic acid

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID57643477

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5β,9β,13α)-Pimara-8(14),15-dien-19-oic acid [ACD/IUPAC Name]
(5β,9β,13α)-Pimara-8(14),15-dien-19-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1S,4aR,4bR,7R,10aS)- [ACD/Index Name]
Acide (5β,9β,13α)-pimara-8(14),15-dién-19-oïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±6.0 kJ/mol
Flash Point: 198.7±23.4 °C
Index of Refraction: 1.538
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 4051.64
ACD/KOC (pH 5.5): 7474.52
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 64.01
ACD/KOC (pH 7.4): 118.09
Polar Surface Area: 37 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 286.5±5.0 cm3

Click to predict properties on the Chemicalize site


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