ChemSpider 2D Image | Methyl (3beta)-25-acetoxy-3-hydroxycholest-5-en-19-oate | C30H48O5

Methyl (3β)-25-acetoxy-3-hydroxycholest-5-en-19-oate

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID35516742

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-25-Acétoxy-3-hydroxycholest-5-én-19-oate de méthyle [French] [ACD/IUPAC Name]
Cholest-5-en-19-oic acid, 25-(acetyloxy)-3-hydroxy-, methyl ester, (3β)- [ACD/Index Name]
Methyl (3β)-25-acetoxy-3-hydroxycholest-5-en-19-oate [ACD/IUPAC Name]
Methyl-(3β)-25-acetoxy-3-hydroxycholest-5-en-19-oat [German] [ACD/IUPAC Name]
25-acetate-nebrosteroid K
Methyl 25-acetoxy-3β-hydroxy-cholest-5-en-19-oate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 559.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 170.6±23.6 °C
Index of Refraction: 1.530
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 90908.07
ACD/KOC (pH 5.5): 123295.48
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 90908.07
ACD/KOC (pH 7.4): 123295.48
Polar Surface Area: 73 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 445.2±5.0 cm3

Click to predict properties on the Chemicalize site


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