ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta)-Cholane-3,24-diol | C24H42O2

(3α,5β,8α,9β)-Cholane-3,24-diol

  • Molecular FormulaC24H42O2
  • Average mass362.589 Da
  • Monoisotopic mass362.318481 Da
  • ChemSpider ID23229384

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,5β,8α,9β)-Cholan-3,24-diol [German] [ACD/IUPAC Name]
(3α,5β,8α,9β)-Cholane-3,24-diol [ACD/IUPAC Name]
(3α,5β,8α,9β)-Cholane-3,24-diol [French] [ACD/IUPAC Name]
Cholane-3,24-diol, (3α,5β,8α,9β)- [ACD/Index Name]
(3R,5R,8R,9S,10S,13R,14S,17R)-17-(4-Hydroxy-1-methyl-butyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 474.5±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 202.0±15.8 °C
Index of Refraction: 1.523
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7516.45
ACD/KOC (pH 5.5): 20703.35
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7516.45
ACD/KOC (pH 7.4): 20703.35
Polar Surface Area: 40 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 353.8±3.0 cm3

Click to predict properties on the Chemicalize site


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