ChemSpider 2D Image | (7beta)-7-Hydroxy-3-oxochol-4-en-24-oic acid | C24H36O4

(7β)-7-Hydroxy-3-oxochol-4-en-24-oic acid

  • Molecular FormulaC24H36O4
  • Average mass388.540 Da
  • Monoisotopic mass388.261353 Da
  • ChemSpider ID58835655

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(7β)-7-Hydroxy-3-oxochol-4-en-24-oic acid [ACD/IUPAC Name]
(7β)-7-Hydroxy-3-oxochol-4-en-24-säure [German] [ACD/IUPAC Name]
Acide (7β)-7-hydroxy-3-oxochol-4-én-24-oïque [French] [ACD/IUPAC Name]
Chol-4-en-24-oic acid, 7-hydroxy-3-oxo-, (7β)- [ACD/Index Name]
14772-95-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 310.1±21.9 °C
Index of Refraction: 1.561
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 48.38
ACD/KOC (pH 5.5): 327.95
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.24
Polar Surface Area: 75 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

Click to predict properties on the Chemicalize site


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