ChemSpider 2D Image | 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al | C27H46O5

3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al

  • Molecular FormulaC27H46O5
  • Average mass450.651 Da
  • Monoisotopic mass450.334534 Da
  • ChemSpider ID21865604

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(3α,5β,7α,12α)-3,7,12,24-Tetrahydroxycholestan-26-al [ACD/IUPAC Name]
(3α,5β,7α,12α)-3,7,12,24-Tetrahydroxycholestan-26-al [German] [ACD/IUPAC Name]
(3α,5β,7α,12α)-3,7,12,24-Tétrahydroxycholestan-26-al [French] [ACD/IUPAC Name]
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-al
Cholestan-26-al, 3,7,12,24-tetrahydroxy-, (3α,5β,7α,12α)- [ACD/Index Name]
3α,7α,12α,24-tetrahydroxy-5β-cholestan-27-al

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

CHEBI:48735 [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: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 330.6±26.6 °C
Index of Refraction: 1.546
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.34
ACD/KOC (pH 5.5): 455.52
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.34
ACD/KOC (pH 7.4): 455.52
Polar Surface Area: 98 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 395.3±3.0 cm3

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