ChemSpider 2D Image | (5alpha)-9-Hydroxyergosta-1,24(28)-dien-3-one | C28H44O2

(5α)-9-Hydroxyergosta-1,24(28)-dien-3-one

  • Molecular FormulaC28H44O2
  • Average mass412.648 Da
  • Monoisotopic mass412.334137 Da
  • ChemSpider ID35517113

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α)-9-Hydroxyergosta-1,24(28)-dien-3-on [German] [ACD/IUPAC Name]
(5α)-9-Hydroxyergosta-1,24(28)-dien-3-one [ACD/IUPAC Name]
(5α)-9-Hydroxyergosta-1,24(28)-dién-3-one [French] [ACD/IUPAC Name]
Ergosta-1,24(28)-dien-3-one, 9-hydroxy-, (5α)- [ACD/Index Name]
9α-hydroxy-5α-ergosta-1,24(28)-dien-3-one
Subergosterone B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 512.0±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 216.6±19.7 °C
Index of Refraction: 1.530
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30214.51
ACD/KOC (pH 5.5): 56043.18
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30214.51
ACD/KOC (pH 7.4): 56043.18
Polar Surface Area: 37 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 402.1±3.0 cm3

Click to predict properties on the Chemicalize site


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