ChemSpider 2D Image | (3beta,12beta,22E)-Ergosta-5,22-diene-3,12-diol | C28H46O2

(3β,12β,22E)-Ergosta-5,22-diene-3,12-diol

  • Molecular FormulaC28H46O2
  • Average mass414.664 Da
  • Monoisotopic mass414.349792 Da
  • ChemSpider ID68911816

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,12β,22E)-Ergosta-5,22-dien-3,12-diol [German] [ACD/IUPAC Name]
(3β,12β,22E)-Ergosta-5,22-diene-3,12-diol [ACD/IUPAC Name]
(3β,12β,22E)-Ergosta-5,22-diène-3,12-diol [French] [ACD/IUPAC Name]
Ergosta-5,22-diene-3,12-diol, (3β,12β,22E)- [ACD/Index Name]
1106732-48-2 [RN]
12-Hydroxy-7,8-dihydroergosterol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 520.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 215.0±24.7 °C
Index of Refraction: 1.544
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61552.62
ACD/KOC (pH 5.5): 93266.08
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 61552.62
ACD/KOC (pH 7.4): 93266.08
Polar Surface Area: 40 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 399.4±5.0 cm3

Click to predict properties on the Chemicalize site


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