ChemSpider 2D Image | Quesnoin | C20H30O4

Quesnoin

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID21105581
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

Quesnoin
(1R,4S,5S,9S,10S,13S,15S,17R)-13-Hydroxy-5,9-dimethyl-16-oxapentacyclo[13.2.1.01,10.04,9.013,17]octadecan-5-carbonsäure [German] [ACD/IUPAC Name]
(1R,4S,5S,9S,10S,13S,15S,17R)-13-Hydroxy-5,9-dimethyl-16-oxapentacyclo[13.2.1.01,10.04,9.013,17]octadecane-5-carboxylic acid [ACD/IUPAC Name]
4H-2,3b-Methanophenanthro[1,2-b]furan-6-carboxylic acid, tetradecahydro-11a-hydroxy-6,9a-dimethyl-, (2S,3aR,3bR,5aS,6S,9aS,9bS,11aS)- [ACD/Index Name]
Acide (1R,4S,5S,9S,10S,13S,15S,17R)-13-hydroxy-5,9-diméthyl-16-oxapentacyclo[13.2.1.01,10.04,9.013,17]octadécane-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 497.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 175.1±22.2 °C
Index of Refraction: 1.588
Molar Refractivity: 89.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 20.96
ACD/KOC (pH 5.5): 167.59
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.64
Polar Surface Area: 67 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

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