ChemSpider 2D Image | (3beta,5alpha,6beta,16beta,25R)-3,6-Bis(benzyloxy)cholestane-16,26-diol | C41H60O4

(3β,5α,6β,16β,25R)-3,6-Bis(benzyloxy)cholestane-16,26-diol

  • Molecular FormulaC41H60O4
  • Average mass616.913 Da
  • Monoisotopic mass616.449158 Da
  • ChemSpider ID8992915

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5α,6β,16β,25R)-3,6-Bis(benzyloxy)cholestan-16,26-diol [German] [ACD/IUPAC Name]
(3β,5α,6β,16β,25R)-3,6-Bis(benzyloxy)cholestane-16,26-diol [ACD/IUPAC Name]
(3β,5α,6β,16β,25R)-3,6-Bis(benzyloxy)cholestane-16,26-diol [French] [ACD/IUPAC Name]
Cholestane-16,26-diol, 3,6-bis(phenylmethoxy)-, (3β,5α,6β,16β,25R)- [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: 691.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 372.1±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 183.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.64
ACD/LogD (pH 5.5): 8.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1745105.88
ACD/LogD (pH 7.4): 8.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1745105.88
Polar Surface Area: 59 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 558.0±5.0 cm3

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