ChemSpider 2D Image | (3alpha,5beta,7alpha,12alpha)-3,7,12-Tris(ethoxymethoxy)cholan-24-ol | C33H60O7

(3α,5β,7α,12α)-3,7,12-Tris(ethoxymethoxy)cholan-24-ol

  • Molecular FormulaC33H60O7
  • Average mass568.825 Da
  • Monoisotopic mass568.433899 Da
  • ChemSpider ID58785231
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3α,5β,7α,12α)-3,7,12-Tris(ethoxymethoxy)cholan-24-ol [German] [ACD/IUPAC Name]
(3α,5β,7α,12α)-3,7,12-Tris(ethoxymethoxy)cholan-24-ol [ACD/IUPAC Name]
(3α,5β,7α,12α)-3,7,12-Tris(éthoxyméthoxy)cholan-24-ol [French] [ACD/IUPAC Name]
Cholan-24-ol, 3,7,12-tris(ethoxymethoxy)-, (3α,5β,7α,12α)- [ACD/Index 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: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 313.8±30.1 °C
Index of Refraction: 1.508
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7320.42
ACD/KOC (pH 5.5): 20315.43
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7320.42
ACD/KOC (pH 7.4): 20315.43
Polar Surface Area: 76 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 531.9±5.0 cm3

Click to predict properties on the Chemicalize site






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