ChemSpider 2D Image | (1E,3S)-6-Methoxy-6-oxo-1-phenyl-1-hexen-3-yl 1-[(4-methylphenyl)sulfonyl]-L-prolinate | C25H29NO6S

(1E,3S)-6-Methoxy-6-oxo-1-phenyl-1-hexen-3-yl 1-[(4-methylphenyl)sulfonyl]-L-prolinate

  • Molecular FormulaC25H29NO6S
  • Average mass471.566 Da
  • Monoisotopic mass471.171570 Da
  • ChemSpider ID30653172

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1E,3S)-6-Methoxy-6-oxo-1-phenyl-1-hexen-3-yl 1-[(4-methylphenyl)sulfonyl]-L-prolinate [ACD/IUPAC Name]
(1E,3S)-6-Methoxy-6-oxo-1-phenyl-1-hexen-3-yl-1-[(4-methylphenyl)sulfonyl]-L-prolinat [German] [ACD/IUPAC Name]
1-[(4-Méthylphényl)sulfonyl]-L-prolinate de (1E,3S)-6-méthoxy-6-oxo-1-phényl-1-hexén-3-yle [French] [ACD/IUPAC Name]
L-Proline, 1-[(4-methylphenyl)sulfonyl]-, (1S)-4-methoxy-4-oxo-1-[(E)-2-phenylethenyl]butyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.7±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 729.26
ACD/KOC (pH 5.5): 3898.11
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 729.26
ACD/KOC (pH 7.4): 3898.11
Polar Surface Area: 98 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

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