ChemSpider 2D Image | Butyl (5alpha,7beta)-7-hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oate | C31H46O6

Butyl (5α,7β)-7-hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oate

  • Molecular FormulaC31H46O6
  • Average mass514.693 Da
  • Monoisotopic mass514.329468 Da
  • ChemSpider ID24661253

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,7β)-7-Hydroxy-4,4,14-triméthyl-3,11,15-trioxochol-8-én-24-oate de butyle [French] [ACD/IUPAC Name]
Butyl (5α,7β)-7-hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oate [ACD/IUPAC Name]
Butyl-(5α,7β)-7-hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oat [German] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 7-hydroxy-4,4,14-trimethyl-3,11,15-trioxo-, butyl ester, (5α,7β)- [ACD/Index Name]
BUTYL LUCIDENATE A
BUTYL LUCIDENTATE A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 627.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 195.2±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1811.39
ACD/KOC (pH 5.5): 7476.22
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1811.39
ACD/KOC (pH 7.4): 7476.22
Polar Surface Area: 98 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 447.9±5.0 cm3

Click to predict properties on the Chemicalize site


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