ChemSpider 2D Image | (1alpha,3beta)-22-Hydroxy-24-oxo-25-(tetrahydro-2H-pyran-2-yloxy)cholesta-5,7-diene-1,3-diyl dimethyl biscarbonate | C36H54O10

(1α,3β)-22-Hydroxy-24-oxo-25-(tetrahydro-2H-pyran-2-yloxy)cholesta-5,7-diene-1,3-diyl dimethyl biscarbonate

  • Molecular FormulaC36H54O10
  • Average mass646.808 Da
  • Monoisotopic mass646.371704 Da
  • ChemSpider ID9138522

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(1α,3β)-22-Hydroxy-24-oxo-25-(tetrahydro-2H-pyran-2-yloxy)cholesta-5,7-dien-1,3-diyl-dimethylbiscarbonat [German] [ACD/IUPAC Name]
(1α,3β)-22-Hydroxy-24-oxo-25-(tetrahydro-2H-pyran-2-yloxy)cholesta-5,7-diene-1,3-diyl dimethyl biscarbonate [ACD/IUPAC Name]
Biscarbonate de (1α,3β)-22-hydroxy-24-oxo-25-(tétrahydro-2H-pyran-2-yloxy)cholesta-5,7-diène-1,3-diyle et de diméthyle [French] [ACD/IUPAC Name]
Carbonic acid, (1α,3β)-22-hydroxy-24-oxo-25-[(tetrahydro-2H-pyran-2-yl)oxy]cholesta-5,7-diene-1,3-diyl dimethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 768.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.6±6.0 kJ/mol
Flash Point: 233.7±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11032.90
ACD/KOC (pH 5.5): 27248.72
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11032.90
ACD/KOC (pH 7.4): 27248.72
Polar Surface Area: 127 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 537.5±5.0 cm3

Click to predict properties on the Chemicalize site


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