ChemSpider 2D Image | (3beta,4alpha,6alpha)-4-Methylergostane-3,6,25-triol | C29H52O3

(3β,4α,6α)-4-Methylergostane-3,6,25-triol

  • Molecular FormulaC29H52O3
  • Average mass448.721 Da
  • Monoisotopic mass448.391632 Da
  • ChemSpider ID29213489

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,4α,6α)-4-Methylergostan-3,6,25-triol [German] [ACD/IUPAC Name]
(3β,4α,6α)-4-Methylergostane-3,6,25-triol [ACD/IUPAC Name]
(3β,4α,6α)-4-Méthylergostane-3,6,25-triol [French] [ACD/IUPAC Name]
Ergostane-3,6,25-triol, 4-methyl-, (3β,4α,6α)- [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: 550.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 223.6±17.8 °C
Index of Refraction: 1.519
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16544.17
ACD/KOC (pH 5.5): 36416.07
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16544.17
ACD/KOC (pH 7.4): 36416.07
Polar Surface Area: 61 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 437.2±3.0 cm3

Click to predict properties on the Chemicalize site


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