ChemSpider 2D Image | Butyl (3beta,5alpha,7beta)-3,7-dihydroxy-4,4,14-trimethyl-11-oxochol-8-en-24-oate | C31H50O5

Butyl (3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11-oxochol-8-en-24-oate

  • Molecular FormulaC31H50O5
  • Average mass502.726 Da
  • Monoisotopic mass502.365814 Da
  • ChemSpider ID28480699

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,7β)-3,7-Dihydroxy-4,4,14-triméthyl-11-oxochol-8-én-24-oate de butyle [French] [ACD/IUPAC Name]
Butyl (3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11-oxochol-8-en-24-oate [ACD/IUPAC Name]
Butyl-(3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11-oxochol-8-en-24-oat [German] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 3,7-dihydroxy-4,4,14-trimethyl-11-oxo-, butyl ester, (3β,5α,7β)- [ACD/Index Name]
n-Butyl lucidenate N

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 183.8±23.6 °C
Index of Refraction: 1.540
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15553.50
ACD/KOC (pH 5.5): 34841.60
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15553.50
ACD/KOC (pH 7.4): 34841.60
Polar Surface Area: 84 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 452.2±5.0 cm3

Click to predict properties on the Chemicalize site


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