ChemSpider 2D Image | 9,19-cyclolanost-24-en-28-oic acid, 3-hydroxy-23-oxo-, methyl ester, (3beta,9beta,17alpha,20xi)- | C31H48O4

9,19-cyclolanost-24-en-28-oic acid, 3-hydroxy-23-oxo-, methyl ester, (3β,9β,17α,20ξ)-

  • Molecular FormulaC31H48O4
  • Average mass484.710 Da
  • Monoisotopic mass484.355255 Da
  • ChemSpider ID21431282

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

9,19-cyclolanost-24-en-28-oic acid, 3-hydroxy-23-oxo-, methyl ester, (3β,9β,17α,20ξ)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 177.6±16.7 °C
Index of Refraction: 1.547
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 61768.25
ACD/KOC (pH 5.5): 93499.84
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 61768.25
ACD/KOC (pH 7.4): 93499.84
Polar Surface Area: 64 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 436.7±5.0 cm3

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