ChemSpider 2D Image | Methyl 3,7,12-triacetoxycholestan-26-oate | C34H54O8

Methyl 3,7,12-triacetoxycholestan-26-oate

  • Molecular FormulaC34H54O8
  • Average mass590.788 Da
  • Monoisotopic mass590.381897 Da
  • ChemSpider ID538829

More details:

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

3,7,12-Triacétoxycholestan-26-oate de méthyle [French] [ACD/IUPAC Name]
Cholestan-26-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester [ACD/Index Name]
Methyl 3,7,12-triacetoxycholestan-26-oate [ACD/IUPAC Name]
Methyl-3,7,12-triacetoxycholestan-26-oat [German] [ACD/IUPAC Name]
Cholestan-26-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3α,5β,7α,12α)-
Methyl 3,7,12-tris(acetyloxy)cholestan-26-oate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 245.4±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 90730.57
ACD/KOC (pH 5.5): 123123.13
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 90730.57
ACD/KOC (pH 7.4): 123123.13
Polar Surface Area: 105 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 526.5±5.0 cm3

Click to predict properties on the Chemicalize site


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