ChemSpider 2D Image | (4alpha,7beta)-7-Hydroxy-4-methyl-3,11-dioxoergosta-8,14,24(28)-trien-26-oic acid | C29H40O5

(4α,7β)-7-Hydroxy-4-methyl-3,11-dioxoergosta-8,14,24(28)-trien-26-oic acid

  • Molecular FormulaC29H40O5
  • Average mass468.625 Da
  • Monoisotopic mass468.287567 Da
  • ChemSpider ID78445586

  • defined stereocentres - 2 of 8 defined stereocentres

More details:

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

(4α,7β)-7-Hydroxy-4-methyl-3,11-dioxoergosta-8,14,24(28)-trien-26-oic acid [ACD/IUPAC Name]
(4α,7β)-7-Hydroxy-4-methyl-3,11-dioxoergosta-8,14,24(28)-trien-26-säure [German] [ACD/IUPAC Name]
Acide (4α,7β)-7-hydroxy-4-méthyl-3,11-dioxoergosta-8,14,24(28)-trién-26-oïque [French] [ACD/IUPAC Name]
Ergosta-8,14,24(28)-trien-26-oic acid, 7-hydroxy-4-methyl-3,11-dioxo-, (4α,7β)- [ACD/Index Name]
Antcin F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±6.0 kJ/mol
Flash Point: 369.8±28.0 °C
Index of Refraction: 1.566
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 82.53
ACD/KOC (pH 5.5): 437.27
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 6.87
Polar Surface Area: 92 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 398.9±5.0 cm3

Click to predict properties on the Chemicalize site


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