ChemSpider 2D Image | (24S)-5beta-cholestane-3alpha,7alpha,12alpha,24,26-pentol | C27H48O5

(24S)-5β-cholestane-3α,7α,12α,24,26-pentol

  • Molecular FormulaC27H48O5
  • Average mass452.667 Da
  • Monoisotopic mass452.350189 Da
  • ChemSpider ID27471313

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(24S)-5β-cholestane-3α,7α,12α,24,26-pentol
(3α,5β,7α,12α,24S)-Cholestan-3,7,12,24,26-pentol [German] [ACD/IUPAC Name]
(3α,5β,7α,12α,24S)-Cholestane-3,7,12,24,26-pentol [ACD/IUPAC Name]
(3α,5β,7α,12α,24S)-Cholestane-3,7,12,24,26-pentol [French] [ACD/IUPAC Name]
Cholestane-3,7,12,24,26-pentol, (3α,5β,7α,12α,24S)- [ACD/Index Name]
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R,5S)-5,7-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecane-5,9,16-triol
401798-22-9 [RN]
5??-cholestan-3??,7??,12??,24(S),27-pentol
5b-Cholestan-3a,7a,12a,24(S),27-pentol
5β-cholestan-3α,7α,12α,24(S),27-pentol
More...

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

CHEBI:63835 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 621.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 263.6±26.1 °C
Index of Refraction: 1.553
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.62
ACD/KOC (pH 5.5): 510.57
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.61
ACD/KOC (pH 7.4): 510.57
Polar Surface Area: 101 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 395.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement