ChemSpider 2D Image | (3beta,8alpha,9beta,17alpha,20S)-Cholest-5-en-3-yl (2E)-3-(2-hydroxyphenyl)acrylate | C36H52O3

(3β,8α,9β,17α,20S)-Cholest-5-en-3-yl (2E)-3-(2-hydroxyphenyl)acrylate

  • Molecular FormulaC36H52O3
  • Average mass532.796 Da
  • Monoisotopic mass532.391663 Da
  • ChemSpider ID10044554

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E)-3-(2-Hydroxyphényl)acrylate de (3β,8α,9β,17α,20S)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
(3β,8α,9β,17α,20S)-Cholest-5-en-3-yl (2E)-3-(2-hydroxyphenyl)acrylate [ACD/IUPAC Name]
(3β,8α,9β,17α,20S)-Cholest-5-en-3-yl-(2E)-3-(2-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(2-hydroxyphenyl)-, (3β,8α,9β,17α,20S)-cholest-5-en-3-yl ester, (2E)- [ACD/Index Name]

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

ZINC03913864 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 227.2±20.9 °C
Index of Refraction: 1.563
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 12.73
ACD/LogD (pH 5.5): 10.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 493.8±5.0 cm3

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