ChemSpider 2D Image | 1,2,3,14,20,22,24,25-Octahydroxycholest-7-en-6-one | C27H44O9

1,2,3,14,20,22,24,25-Octahydroxycholest-7-en-6-one

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID492357

More details:

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

1,2,3,14,20,22,24,25-Octahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
1,2,3,14,20,22,24,25-Octahydroxycholest-7-en-6-one [ACD/IUPAC Name]
1,2,3,14,20,22,24,25-Octahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
1β,2β,3β,14α,20R,22R,24ξ,25-octahydroxy-5β-cholest-7-en-6-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 441.0±29.4 °C
Index of Refraction: 1.623
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.36
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.36
Polar Surface Area: 179 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 370.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement