ChemSpider 2D Image | (3beta,5alpha,6beta,7beta)-5-Hydroxycholestane-3,6,7-triyl triacetate | C33H54O7

(3β,5α,6β,7β)-5-Hydroxycholestane-3,6,7-triyl triacetate

  • Molecular FormulaC33H54O7
  • Average mass562.778 Da
  • Monoisotopic mass562.386963 Da
  • ChemSpider ID26619570

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,6β,7β)-5-Hydroxycholestan-3,6,7-triyl-triacetat [German] [ACD/IUPAC Name]
(3β,5α,6β,7β)-5-Hydroxycholestane-3,6,7-triyl triacetate [ACD/IUPAC Name]
Cholestane-3,5,6,7-tetrol, 3,6,7-triacetate, (3β,5α,6β,7β)- [ACD/Index Name]
Triacétate de (3β,5α,6β,7β)-5-hydroxycholestane-3,6,7-triyle [French] [ACD/IUPAC 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: 594.2±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 174.8±17.8 °C
Index of Refraction: 1.521
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 162947.45
ACD/KOC (pH 5.5): 187223.48
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 162947.28
ACD/KOC (pH 7.4): 187223.28
Polar Surface Area: 99 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 504.8±5.0 cm3

Click to predict properties on the Chemicalize site


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