ChemSpider 2D Image | (3beta,9beta,16beta,23S)-24-Methylene-9,19-cyclolanostane-3,16,23-triol | C31H52O3

(3β,9β,16β,23S)-24-Methylene-9,19-cyclolanostane-3,16,23-triol

  • Molecular FormulaC31H52O3
  • Average mass472.743 Da
  • Monoisotopic mass472.391632 Da
  • ChemSpider ID26367032

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,9β,16β,23S)-24-Methylen-9,19-cyclolanostan-3,16,23-triol [German] [ACD/IUPAC Name]
(3β,9β,16β,23S)-24-Methylene-9,19-cyclolanostane-3,16,23-triol [ACD/IUPAC Name]
(3β,9β,16β,23S)-24-Méthylène-9,19-cyclolanostane-3,16,23-triol [French] [ACD/IUPAC Name]
9,19-Cyclolanostane-3,16,23-triol, 24-methylene-, (3β,9β,16β,23S)- [ACD/Index 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: 575.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 233.6±16.4 °C
Index of Refraction: 1.553
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61018.15
ACD/KOC (pH 5.5): 92685.73
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 61018.15
ACD/KOC (pH 7.4): 92685.73
Polar Surface Area: 61 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

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