ChemSpider 2D Image | (3alpha,4alpha,22R)-4,14-Dimethylergosta-7,9(11),24(28)-triene-3,22-diol | C30H48O2

(3α,4α,22R)-4,14-Dimethylergosta-7,9(11),24(28)-triene-3,22-diol

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID78441033

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,4α,22R)-4,14-Dimethylergosta-7,9(11),24(28)-trien-3,22-diol [German] [ACD/IUPAC Name]
(3α,4α,22R)-4,14-Dimethylergosta-7,9(11),24(28)-triene-3,22-diol [ACD/IUPAC Name]
(3α,4α,22R)-4,14-Diméthylergosta-7,9(11),24(28)-triène-3,22-diol [French] [ACD/IUPAC Name]
Ergosta-7,9(11),24(28)-triene-3,22-diol, 4,14-dimethyl-, (3α,4α,22R)- [ACD/Index Name]
Igniaren B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.0±6.0 kJ/mol
Flash Point: 226.9±24.7 °C
Index of Refraction: 1.545
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 180857.53
ACD/KOC (pH 5.5): 201733.53
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 180857.53
ACD/KOC (pH 7.4): 201733.53
Polar Surface Area: 40 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 425.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement