ChemSpider 2D Image | (5alpha,7beta,10alpha)-7-Hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oic acid | C27H38O6

(5α,7β,10α)-7-Hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oic acid

  • Molecular FormulaC27H38O6
  • Average mass458.587 Da
  • Monoisotopic mass458.266846 Da
  • ChemSpider ID113609100

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,7β,10α)-7-Hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oic acid [ACD/IUPAC Name]
(5α,7β,10α)-7-Hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-säure [German] [ACD/IUPAC Name]
Acide (5α,7β,10α)-7-hydroxy-4,4,14-triméthyl-3,11,15-trioxochol-8-én-24-oïque [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 7-hydroxy-4,4,14-trimethyl-3,11,15-trioxo-, (5α,7β,10α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 640.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±6.0 kJ/mol
Flash Point: 354.9±28.0 °C
Index of Refraction: 1.564
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 15.12
ACD/KOC (pH 5.5): 139.42
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.21
Polar Surface Area: 109 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 374.8±5.0 cm3

Click to predict properties on the Chemicalize site


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