ChemSpider 2D Image | 4-Oxo-4-(stigmast-5-en-3-yloxy)butanoic acid | C33H54O4

4-Oxo-4-(stigmast-5-en-3-yloxy)butanoic acid

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID370265

More details:

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

4-Oxo-4-(stigmast-5-en-3-yloxy)butanoic acid [ACD/IUPAC Name]
4-Oxo-4-(stigmast-5-en-3-yloxy)butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-(stigmast-5-én-3-yloxy)butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, monostigmast-5-en-3-yl ester [ACD/Index Name]
4-Oxo-4-[(stigmast-5-en-3-yl)oxy]butanoic acid
81125-67-9 [RN]
Cholest-5-en-3β-ol, 24-ethyl-, hydrogen succinate
SITOSTEROL, β, HEMISUCCINATE
Stigmast-5-en-3-ol, hydrogen butanedioate, (3β)-
Stigmast-5-en-3β-ol, hydrogen succinate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC99628 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 603.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 181.6±23.1 °C
Index of Refraction: 1.525
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.20
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 613149.88
ACD/KOC (pH 5.5): 230498.72
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 9781.29
ACD/KOC (pH 7.4): 3677.04
Polar Surface Area: 64 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 488.3±5.0 cm3

Click to predict properties on the Chemicalize site


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