ChemSpider 2D Image | (3beta,16beta,22S)-20,22-Dihydroxycholestane-3,16-diyl dibutanoate | C35H60O6

(3β,16β,22S)-20,22-Dihydroxycholestane-3,16-diyl dibutanoate

  • Molecular FormulaC35H60O6
  • Average mass576.847 Da
  • Monoisotopic mass576.438965 Da
  • ChemSpider ID9116083

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,16β,22S)-20,22-Dihydroxycholestan-3,16-diyl-dibutanoat [German] [ACD/IUPAC Name]
(3β,16β,22S)-20,22-Dihydroxycholestane-3,16-diyl dibutanoate [ACD/IUPAC Name]
Butanoic acid, (3β,16β,22S)-20,22-dihydroxycholestane-3,16-diyl ester [ACD/Index Name]
Dibutanoate de (3β,16β,22S)-20,22-dihydroxycholestane-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: 636.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 186.6±16.7 °C
Index of Refraction: 1.524
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 448350.84
ACD/KOC (pH 5.5): 386367.31
ACD/LogD (pH 7.4): 7.74
ACD/BCF (pH 7.4): 448350.84
ACD/KOC (pH 7.4): 386367.31
Polar Surface Area: 93 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 531.4±5.0 cm3

Click to predict properties on the Chemicalize site


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