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Search term: NWCFXEYHLYCCTG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,5xi,8xi,9beta,17xi,20xi)-24-Methylene-9,19-cyclolanostan-3-yl (2Z)-3-(4-hydroxyphenyl)acrylate | C40H58O3

(3β,5ξ,8ξ,9β,17ξ,20ξ)-24-Methylene-9,19-cyclolanostan-3-yl (2Z)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID8184102

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(2Z)-3-(4-Hydroxyphényl)acrylate de (3β,5ξ,8ξ,9β,17ξ,20ξ)-24-méthylène-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
(3β,5ξ,8ξ,9β,17ξ,20ξ)-24-Methylen-9,19-cyclolanostan-3-yl-(2Z)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
(3β,5ξ,8ξ,9β,17ξ,20ξ)-24-Methylene-9,19-cyclolanostan-3-yl (2Z)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (3β,5ξ,8ξ,9β,17ξ,20ξ)-24-methylene-9,19-cyclolanostan-3-yl ester, (2Z)- [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: 648.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 231.8±17.3 °C
Index of Refraction: 1.566
Molar Refractivity: 176.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 13.44
ACD/LogD (pH 5.5): 11.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 541.8±5.0 cm3

Click to predict properties on the Chemicalize site


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