ChemSpider 2D Image | (1alpha,3beta,22R,24S)-24-Hydroxy-25-(methoxymethoxy)-22-methylcholesta-5,7-diene-1,3-diyl dimethyl biscarbonate | C34H54O9

(1α,3β,22R,24S)-24-Hydroxy-25-(methoxymethoxy)-22-methylcholesta-5,7-diene-1,3-diyl dimethyl biscarbonate

  • Molecular FormulaC34H54O9
  • Average mass606.787 Da
  • Monoisotopic mass606.376770 Da
  • ChemSpider ID8524160

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3β,22R,24S)-24-Hydroxy-25-(methoxymethoxy)-22-methylcholesta-5,7-dien-1,3-diyl-dimethylbiscarbonat [German] [ACD/IUPAC Name]
(1α,3β,22R,24S)-24-Hydroxy-25-(methoxymethoxy)-22-methylcholesta-5,7-diene-1,3-diyl dimethyl biscarbonate [ACD/IUPAC Name]
Biscarbonate de (1α,3β,22R,24S)-24-hydroxy-25-(méthoxyméthoxy)-22-méthylcholesta-5,7-diène-1,3-diyle et de diméthyle [French] [ACD/IUPAC Name]
Carbonic acid, (1α,3β,22R,24S)-24-hydroxy-25-(methoxymethoxy)-22-methylcholesta-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: 1.1±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 208.1±25.0 °C
Index of Refraction: 1.529
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70125.85
ACD/KOC (pH 5.5): 102390.60
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70125.85
ACD/KOC (pH 7.4): 102390.60
Polar Surface Area: 110 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 527.6±5.0 cm3

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