ChemSpider 2D Image | Methyl (5beta,7alpha,12alpha)-7,12-bis(methoxymethoxy)-3-oxocholan-24-oate | C29H48O7

Methyl (5β,7α,12α)-7,12-bis(methoxymethoxy)-3-oxocholan-24-oate

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID9960171
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(5β,7α,12α)-7,12-Bis(méthoxyméthoxy)-3-oxocholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 7,12-bis(methoxymethoxy)-3-oxo-, methyl ester, (5β,7α,12α)- [ACD/Index Name]
Methyl (5β,7α,12α)-7,12-bis(methoxymethoxy)-3-oxocholan-24-oate [ACD/IUPAC Name]
Methyl-(5β,7α,12α)-7,12-bis(methoxymethoxy)-3-oxocholan-24-oat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 551.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 229.5±30.2 °C
Index of Refraction: 1.511
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 461.44
ACD/KOC (pH 5.5): 2809.18
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 461.44
ACD/KOC (pH 7.4): 2809.18
Polar Surface Area: 80 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 457.4±5.0 cm3

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