ChemSpider 2D Image | (3alpha,4alpha,22R)-4,14-Dimethylergosta-8,24(28)-diene-3,22-diol | C30H50O2

(3α,4α,22R)-4,14-Dimethylergosta-8,24(28)-diene-3,22-diol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID78440732

  • 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-8,24(28)-dien-3,22-diol [German] [ACD/IUPAC Name]
(3α,4α,22R)-4,14-Dimethylergosta-8,24(28)-diene-3,22-diol [ACD/IUPAC Name]
(3α,4α,22R)-4,14-Diméthylergosta-8,24(28)-diène-3,22-diol [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-diene-3,22-diol, 4,14-dimethyl-, (3α,4α,22R)- [ACD/Index Name]
Igniaren C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 536.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 216.9±24.7 °C
Index of Refraction: 1.535
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.82
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 690749.63
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 690749.63
Polar Surface Area: 40 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 432.5±5.0 cm3

Click to predict properties on the Chemicalize site


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