ChemSpider 2D Image | (25R)-24-Methylene-3-oxo-9,19-cyclolanostan-26-oic acid | C31H48O3

(25R)-24-Methylene-3-oxo-9,19-cyclolanostan-26-oic acid

  • Molecular FormulaC31H48O3
  • Average mass468.711 Da
  • Monoisotopic mass468.360352 Da
  • ChemSpider ID68024113

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(25R)-24-Methylene-3-oxo-9,19-cyclolanostan-26-oic acid
(9β,25R)-24-Methylen-3-oxo-9,19-cyclolanostan-26-säure [German] [ACD/IUPAC Name]
(9β,25R)-24-Methylene-3-oxo-9,19-cyclolanostan-26-oic acid [ACD/IUPAC Name]
17984-17-7 [RN]
9,19-Cyclolanostan-26-oic acid, 24-methylene-3-oxo-, (9β,25R)- [ACD/Index Name]
Acide (9β,25R)-24-méthylène-3-oxo-9,19-cyclolanostan-26-oïque [French] [ACD/IUPAC Name]
Ambonic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 579.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 318.5±19.1 °C
Index of Refraction: 1.544
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 38993.73
ACD/KOC (pH 5.5): 35946.88
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 612.78
ACD/KOC (pH 7.4): 564.90
Polar Surface Area: 54 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

Click to predict properties on the Chemicalize site


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