ChemSpider 2D Image | (3beta,9beta)-25-Fluorocholest-5-ene-3,22-diol | C27H45FO2

(3β,9β)-25-Fluorocholest-5-ene-3,22-diol

  • Molecular FormulaC27H45FO2
  • Average mass420.643 Da
  • Monoisotopic mass420.340363 Da
  • ChemSpider ID25995597

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,9β)-25-Fluorcholest-5-en-3,22-diol [German] [ACD/IUPAC Name]
(3β,9β)-25-Fluorocholest-5-ene-3,22-diol [ACD/IUPAC Name]
(3β,9β)-25-Fluorocholest-5-ène-3,22-diol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,22-diol, 25-fluoro-, (3β,9β)- [ACD/Index Name]
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 518.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 267.3±23.2 °C
Index of Refraction: 1.530
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37244.74
ACD/KOC (pH 5.5): 65095.64
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37244.74
ACD/KOC (pH 7.4): 65095.64
Polar Surface Area: 40 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 394.0±5.0 cm3

Click to predict properties on the Chemicalize site


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