ChemSpider 2D Image | (3beta,5xi,9xi,24S)-9,19-Cyclolanostane-3,24,25-triol | C30H52O3

(3β,5ξ,9ξ,24S)-9,19-Cyclolanostane-3,24,25-triol

  • Molecular FormulaC30H52O3
  • Average mass460.732 Da
  • Monoisotopic mass460.391632 Da
  • ChemSpider ID60600467

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,5ξ,9ξ,24S)-9,19-Cyclolanostan-3,24,25-triol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,24S)-9,19-Cyclolanostane-3,24,25-triol [ACD/IUPAC Name]
(3β,5ξ,9ξ,24S)-9,19-Cyclolanostane-3,24,25-triol [French] [ACD/IUPAC Name]
9,19-Cyclolanostane-3,24,25-triol, (3β,5ξ,9ξ,24S)- [ACD/Index Name]
57576-29-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 572.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 234.2±16.4 °C
Index of Refraction: 1.552
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 56785.28
ACD/KOC (pH 5.5): 88036.66
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 56785.28
ACD/KOC (pH 7.4): 88036.66
Polar Surface Area: 61 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

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