ChemSpider 2D Image | (3beta,5alpha,8xi,9xi,14xi,24S)-Stigmastan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C39H60O4

(3β,5α,8ξ,9ξ,14ξ,24S)-Stigmastan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC39H60O4
  • Average mass592.891 Da
  • Monoisotopic mass592.449158 Da
  • ChemSpider ID8048970

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (3β,5α,8ξ,9ξ,14ξ,24S)-stigmastan-3-yle [French] [ACD/IUPAC Name]
(3β,5α,8ξ,9ξ,14ξ,24S)-Stigmastan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(3β,5α,8ξ,9ξ,14ξ,24S)-Stigmastan-3-yl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3β,5α,8ξ,9ξ,14ξ,24S)-stigmastan-3-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 652.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 189.5±20.8 °C
Index of Refraction: 1.547
Molar Refractivity: 176.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 13.22
ACD/LogD (pH 5.5): 11.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 555.5±5.0 cm3

Click to predict properties on the Chemicalize site


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