ChemSpider 2D Image | (2R,3E)-2-[(2S,3R,6S)-2,3-Bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxo-4-morpholinyl]-3-pentenoic acid | C28H24Cl2FNO4

(2R,3E)-2-[(2S,3R,6S)-2,3-Bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxo-4-morpholinyl]-3-pentenoic acid

  • Molecular FormulaC28H24Cl2FNO4
  • Average mass528.399 Da
  • Monoisotopic mass527.106628 Da
  • ChemSpider ID35033680
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2R,3E)-2-[(2S,3R,6S)-2,3-Bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxo-4-morpholinyl]-3-pentenoic acid [ACD/IUPAC Name]
(2r,3e)-2-[(2s,3r,6s)-2,3-Bis(4-Chlorophenyl)-6-(4-Fluorobenzyl)-5-Oxomorpholin-4-Yl]pent-3-Enoic Acid
(2R,3E)-2-[(2S,3R,6S)-2,3-Bis(4-chlorphenyl)-6-(4-fluorbenzyl)-5-oxo-4-morpholinyl]-3-pentensäure [German] [ACD/IUPAC Name]
4-Morpholineacetic acid, 2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-α-[(1E)-1-propen-1-yl]-, (αR,2S,3R,6S)- [ACD/Index Name]
Acide (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophényl)-6-(4-fluorobenzyl)-5-oxo-4-morpholinyl]-3-penténoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 698.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.4±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 319.39
ACD/KOC (pH 5.5): 525.12
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 12.16
ACD/KOC (pH 7.4): 19.99
Polar Surface Area: 67 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 393.2±3.0 cm3

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