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ChemSpider 2D Image | (4S,5S,9S,10S)-13-Hydroxy-5,9-dimethyl-16-oxapentacyclo[13.2.1.0~1,10~.0~4,9~.0~13,17~]octadecane-5-carboxylic acid | C20H30O4

(4S,5S,9S,10S)-13-Hydroxy-5,9-dimethyl-16-oxapentacyclo[13.2.1.01,10.04,9.013,17]octadecane-5-carboxylic acid

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID21105569

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

Density: 1.3±0.0 g/cm3
Boiling Point: 497.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 88.1±0.0 kJ/mol
Flash Point: 175.1±0.0 °C
Index of Refraction: 1.587
Molar Refractivity: 89.3±0.0 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 12.31
ACD/KOC (pH 5.5): 114.48
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 67 Å2
Polarizability: 35.4±0.0 10-24cm3
Surface Tension: 54.2±0.0 dyne/cm
Molar Volume: 265.5±0.0 cm3

Click to predict properties on the Chemicalize site


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