ChemSpider 2D Image | 5b-Cholestane-3a,7a,12a,23S,25-pentol | C27H48O5

5b-Cholestane-3a,7a,12a,23S,25-pentol

  • Molecular FormulaC27H48O5
  • Average mass452.667 Da
  • Monoisotopic mass452.350189 Da
  • ChemSpider ID13628096

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

5b-Cholestane-3a,7a,12a,23S,25-pentol
(3α,5β,7α,12α,23R)-Cholestan-3,7,12,23,25-pentol [German] [ACD/IUPAC Name]
(3α,5β,7α,12α,23R)-Cholestane-3,7,12,23,25-pentol [ACD/IUPAC Name]
(3α,5β,7α,12α,23R)-Cholestane-3,7,12,23,25-pentol [French] [ACD/IUPAC Name]
59906-14-8 [RN]
59906-15-9 [RN]
Cholestane-3,7,12,23,25-pentol, (3α,5β,7α,12α,23R)- [ACD/Index Name]
(23S)-5b-cholestane-3a,7a,12a,23,25-pentol
5b-Cholestan-3a,7a,12a,23x,25-pentol
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecane-5,9,16-triol
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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: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 261.4±26.1 °C
Index of Refraction: 1.554
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.85
ACD/KOC (pH 5.5): 554.68
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.85
ACD/KOC (pH 7.4): 554.68
Polar Surface Area: 101 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 395.2±3.0 cm3

Click to predict properties on the Chemicalize site


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