ChemSpider 2D Image | (4E)-6-[(2R,4S,5S)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid | C22H23ClO5

(4E)-6-[(2R,4S,5S)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid

  • Molecular FormulaC22H23ClO5
  • Average mass402.868 Da
  • Monoisotopic mass402.123413 Da
  • ChemSpider ID128925184

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4E)-6-[(2R,4S,5S)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid [ACD/IUPAC Name]
(4E)-6-[(2R,4S,5S)-2-(2-Chlorphenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[(2R,4S,5S)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-, (4E)- [ACD/Index Name]
Acide (4E)-6-[(2R,4S,5S)-2-(2-chlorophényl)-4-(2-hydroxyphényl)-1,3-dioxan-5-yl]-4-hexénoïque [French] [ACD/IUPAC Name]
117621-64-4 [RN]
ICI 192,605

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.4±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 130.25
ACD/KOC (pH 5.5): 605.87
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 9.47
Polar Surface Area: 76 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 319.1±3.0 cm3

Click to predict properties on the Chemicalize site


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