ChemSpider 2D Image | (3beta,5beta,9beta)-3-(Propanoyloxy)cholan-24-Oic Acid | C27H44O4

(3β,5β,9β)-3-(Propanoyloxy)cholan-24-Oic Acid

  • Molecular FormulaC27H44O4
  • Average mass432.636 Da
  • Monoisotopic mass432.323975 Da
  • ChemSpider ID35034016

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β,9β)-3-(Propanoyloxy)cholan-24-Oic Acid
(3β,5β,9β)-3-(Propionyloxy)cholan-24-oic acid [ACD/IUPAC Name]
(3β,5β,9β)-3-(Propionyloxy)cholan-24-säure [German] [ACD/IUPAC Name]
Acide (3β,5β,9β)-3-(propionyloxy)cholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-(1-oxopropoxy)-, (3β,5β,9β)- [ACD/Index Name]
LHP

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

Density: 1.1±0.1 g/cm3
Boiling Point: 532.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 167.6±16.1 °C
Index of Refraction: 1.527
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 11641.59
ACD/KOC (pH 5.5): 16628.16
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 186.01
ACD/KOC (pH 7.4): 265.69
Polar Surface Area: 64 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

Click to predict properties on the Chemicalize site


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