ChemSpider 2D Image | (1alpha,3beta,20S,22Z)-25-(Methoxymethoxy)-24-oxocholesta-5,7,22-triene-1,3-diyl dimethyl biscarbonate | C33H48O9

(1α,3β,20S,22Z)-25-(Methoxymethoxy)-24-oxocholesta-5,7,22-triene-1,3-diyl dimethyl biscarbonate

  • Molecular FormulaC33H48O9
  • Average mass588.729 Da
  • Monoisotopic mass588.329834 Da
  • ChemSpider ID8873951

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1α,3β,20S,22Z)-25-(Methoxymethoxy)-24-oxocholesta-5,7,22-trien-1,3-diyl-dimethylbiscarbonat [German] [ACD/IUPAC Name]
(1α,3β,20S,22Z)-25-(Methoxymethoxy)-24-oxocholesta-5,7,22-triene-1,3-diyl dimethyl biscarbonate [ACD/IUPAC Name]
Biscarbonate de (1α,3β,20S,22Z)-25-(méthoxyméthoxy)-24-oxocholesta-5,7,22-triène-1,3-diyle et de diméthyle [French] [ACD/IUPAC Name]
Carbonic acid, (1α,3β,20S,22Z)-25-(methoxymethoxy)-24-oxocholesta-5,7,22-triene-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: 676.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 278.4±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31570.01
ACD/KOC (pH 5.5): 57831.58
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31570.01
ACD/KOC (pH 7.4): 57831.58
Polar Surface Area: 107 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 503.2±5.0 cm3

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