ChemSpider 2D Image | (3beta,5alpha,6alpha)-14-Methylergosta-8,24(28)-diene-3,6-diol | C29H48O2

(3β,5α,6α)-14-Methylergosta-8,24(28)-diene-3,6-diol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID103884209

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,6α)-14-Methylergosta-8,24(28)-dien-3,6-diol [German] [ACD/IUPAC Name]
(3β,5α,6α)-14-Methylergosta-8,24(28)-diene-3,6-diol [ACD/IUPAC Name]
(3β,5α,6α)-14-Méthylergosta-8,24(28)-diène-3,6-diol [French] [ACD/IUPAC Name]
85122-25-4 [RN]
Ergosta-8,24(28)-diene-3,6-diol, 14-methyl-, (3β,5α,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: 525.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 214.1±24.7 °C
Index of Refraction: 1.538
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.75
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 777329.19
ACD/KOC (pH 5.5): 572881.44
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 777329.19
ACD/KOC (pH 7.4): 572881.44
Polar Surface Area: 40 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 415.8±5.0 cm3

Click to predict properties on the Chemicalize site


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