ChemSpider 2D Image | (3beta,5alpha,7alpha,15beta,24R)-4-Methyleneergost-8(14)-ene-3,7,15-triol | C29H48O3

(3β,5α,7α,15β,24R)-4-Methyleneergost-8(14)-ene-3,7,15-triol

  • Molecular FormulaC29H48O3
  • Average mass444.690 Da
  • Monoisotopic mass444.360352 Da
  • ChemSpider ID28431763

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,7α,15β,24R)-4-Methyleneergost-8(14)-ene-3,7,15-triol [ACD/IUPAC Name]
(3β,5α,7α,15β,24R)-4-Méthylèneergost-8(14)-ène-3,7,15-triol [French] [ACD/IUPAC Name]
(3β,5α,7α,15β,24R)-4-Methylenergost-8(14)-en-3,7,15-triol [German] [ACD/IUPAC Name]
Ergost-8(14)-ene-3,7,15-triol, 4-methylene-, (3β,5α,7α,15β,24R)- [ACD/Index Name]
conicasterol E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 234.9±24.7 °C
Index of Refraction: 1.548
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 56810.97
ACD/KOC (pH 5.5): 88065.17
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 56810.97
ACD/KOC (pH 7.4): 88065.17
Polar Surface Area: 61 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 414.5±5.0 cm3

Click to predict properties on the Chemicalize site


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