ChemSpider 2D Image | (3beta,16beta,22R)-20,22-Epoxycholestane-3,16-diyl dibutanoate | C35H58O5

(3β,16β,22R)-20,22-Epoxycholestane-3,16-diyl dibutanoate

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID9909111

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,16β,22R)-20,22-Epoxycholestan-3,16-diyl-dibutanoat [German] [ACD/IUPAC Name]
(3β,16β,22R)-20,22-Epoxycholestane-3,16-diyl dibutanoate [ACD/IUPAC Name]
Butanoic acid, (3β,16β,22R)-20,22-epoxycholestane-3,16-diyl ester [ACD/Index Name]
Dibutanoate de (3β,16β,22R)-20,22-époxycholestane-3,16-diyle [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: 587.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 239.6±23.2 °C
Index of Refraction: 1.519
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.88
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1147345.75
ACD/LogD (pH 7.4): 8.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1147345.75
Polar Surface Area: 65 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 524.1±5.0 cm3

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