ChemSpider 2D Image | (3alpha,5beta,7alpha,10xi,12beta,13xi,23R)-Cholestane-3,7,12,23-tetrol | C27H48O4

(3α,5β,7α,10ξ,12β,13ξ,23R)-Cholestane-3,7,12,23-tetrol

  • Molecular FormulaC27H48O4
  • Average mass436.668 Da
  • Monoisotopic mass436.355255 Da
  • ChemSpider ID58818068

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(3α,5β,7α,10ξ,12β,13ξ,23R)-Cholestan-3,7,12,23-tetrol [German] [ACD/IUPAC Name]
(3α,5β,7α,10ξ,12β,13ξ,23R)-Cholestane-3,7,12,23-tetrol [ACD/IUPAC Name]
(3α,5β,7α,10ξ,12β,13ξ,23R)-Cholestane-3,7,12,23-tétrol [French] [ACD/IUPAC Name]
Cholestane-3,7,12,23-tetrol, (3α,5β,7α,10ξ,12β,13ξ,23R)- [ACD/Index Name]
68832-44-0 [RN]
Cholestane-3,7,12,23-tetrol [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 238.3±24.7 °C
Index of Refraction: 1.541
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 235.91
ACD/KOC (pH 5.5): 1737.85
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 235.91
ACD/KOC (pH 7.4): 1737.85
Polar Surface Area: 81 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 398.0±3.0 cm3

Click to predict properties on the Chemicalize site


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