ChemSpider 2D Image | (3beta,5alpha,6alpha,7alpha,24S)-5,6-Epoxystigmast-8(14)-ene-3,7-diol | C29H48O3

(3β,5α,6α,7α,24S)-5,6-Epoxystigmast-8(14)-ene-3,7-diol

  • Molecular FormulaC29H48O3
  • Average mass444.690 Da
  • Monoisotopic mass444.360352 Da
  • ChemSpider ID44210760

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6α,7α,24S)-5,6-Epoxystigmast-8(14)-en-3,7-diol [German] [ACD/IUPAC Name]
(3β,5α,6α,7α,24S)-5,6-Epoxystigmast-8(14)-ene-3,7-diol [ACD/IUPAC Name]
(3β,5α,6α,7α,24S)-5,6-Époxystigmast-8(14)-ène-3,7-diol [French] [ACD/IUPAC Name]
Stigmast-8(14)-ene-3,7-diol, 5,6-epoxy-, (3β,5α,6α,7α,24S)- [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: 564.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 295.1±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 216335.75
ACD/KOC (pH 5.5): 229329.69
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 216335.75
ACD/KOC (pH 7.4): 229329.69
Polar Surface Area: 53 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 409.0±5.0 cm3

Click to predict properties on the Chemicalize site


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