ChemSpider 2D Image | (22R)-Cholest-5-ene-3,20,22-triol | C27H46O3

(22R)-Cholest-5-ene-3,20,22-triol

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID59651624

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(22R)-Cholest-5-en-3,20,22-triol [German] [ACD/IUPAC Name]
(22R)-Cholest-5-ene-3,20,22-triol [ACD/IUPAC Name]
(22R)-Cholest-5-ène-3,20,22-triol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,20,22-triol, (22R)- [ACD/Index Name]
(2R,3R)-2-[(1S,2R,10S,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-yl]-6-methylheptane-2,3-diol
15234-55-6 [RN]
20a,22b-Dihydroxycholesterol
20α,22β-Dihydroxycholesterol

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 233.1±17.8 °C
Index of Refraction: 1.550
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 6002.66
ACD/KOC (pH 5.5): 17625.04
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 6002.66
ACD/KOC (pH 7.4): 17625.04
Polar Surface Area: 61 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 386.4±5.0 cm3

Click to predict properties on the Chemicalize site


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