ChemSpider 2D Image | 3β-Hydroxyergost-5-en-7-one | C28H46O2

3β-Hydroxyergost-5-en-7-one

  • Molecular FormulaC28H46O2
  • Average mass414.664 Da
  • Monoisotopic mass414.349792 Da
  • ChemSpider ID28424483

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,20R)-3-Hydroxyergost-5-en-7-on [German] [ACD/IUPAC Name]
(3β,20R)-3-Hydroxyergost-5-en-7-one [ACD/IUPAC Name]
(3β,20R)-3-Hydroxyergost-5-én-7-one [French] [ACD/IUPAC Name]
156767-69-0 [RN]
3β-Hydroxyergost-5-en-7-one
Ergost-5-en-7-one, 3-hydroxy-, (3β,20R)- [ACD/Index Name]
(24S)-3β-Hydroxyergost-5-en-7-one
(24S)-3β-Hydroxyergost-5-en-7-one
[156767-69-0] [RN]
3β-Hydroxyergost-5-en-7-one
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 524.5±29.0 °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: 221.5±16.9 °C
Index of Refraction: 1.528
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 37960.62
ACD/KOC (pH 5.5): 65988.83
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 37960.62
ACD/KOC (pH 7.4): 65988.83
Polar Surface Area: 37 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 405.0±5.0 cm3

Click to predict properties on the Chemicalize site


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