ChemSpider 2D Image | (3beta,8xi,16alpha)-Ergosta-5,24(28)-diene-3,16-diol | C28H46O2

(3β,8ξ,16α)-Ergosta-5,24(28)-diene-3,16-diol

  • Molecular FormulaC28H46O2
  • Average mass414.664 Da
  • Monoisotopic mass414.349792 Da
  • ChemSpider ID35516841

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,8ξ,16α)-Ergosta-5,24(28)-dien-3,16-diol [German] [ACD/IUPAC Name]
(3β,8ξ,16α)-Ergosta-5,24(28)-diene-3,16-diol [ACD/IUPAC Name]
(3β,8ξ,16α)-Ergosta-5,24(28)-diène-3,16-diol [French] [ACD/IUPAC Name]
Ergosta-5,24(28)-diene-3,16-diol, (3β,8ξ,16α)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 522.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 215.8±22.8 °C
Index of Refraction: 1.540
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 151810.75
ACD/KOC (pH 5.5): 177972.67
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 151810.75
ACD/KOC (pH 7.4): 177972.67
Polar Surface Area: 40 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 400.6±5.0 cm3

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