ChemSpider 2D Image | (+)-Sterpuric acid | C15H22O3

(+)-Sterpuric acid

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID22899163

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(+)-Sterpuric acid
(2aS,3aR,5S,7aR)-7a-Hydroxy-2a,5,7-trimethyl-2,2a,3,3a,4,5,6,7a-octahydro-1H-cyclobuta[f]inden-5-carbonsäure [German] [ACD/IUPAC Name]
(2aS,3aR,5S,7aR)-7a-Hydroxy-2a,5,7-trimethyl-2,2a,3,3a,4,5,6,7a-octahydro-1H-cyclobuta[f]indene-5-carboxylic acid [ACD/IUPAC Name]
1H-Cyclobut[f]indene-5-carboxylic acid, 2,2a,3,3a,4,5,6,7a-octahydro-7a-hydroxy-2a,5,7-trimethyl-, (2aS,3aR,5S,7aR)- [ACD/Index Name]
Acide (2aS,3aR,5S,7aR)-7a-hydroxy-2a,5,7-triméthyl-2,2a,3,3a,4,5,6,7a-octahydro-1H-cyclobuta[f]indène-5-carboxylique [French] [ACD/IUPAC Name]
MFCD09869635
Sterpuric acid [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 394.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 206.8±21.1 °C
Index of Refraction: 1.573
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 46.18
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 206.5±5.0 cm3

Click to predict properties on the Chemicalize site


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