ChemSpider 2D Image | 4-({[(13E,15S)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]amino}methyl)cyclohexanecarboxylic acid | C28H47NO5

4-({[(13E,15S)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]amino}methyl)cyclohexanecarboxylic acid

  • Molecular FormulaC28H47NO5
  • Average mass477.677 Da
  • Monoisotopic mass477.345428 Da
  • ChemSpider ID81422426

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-({[(13E,15S)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]amino}methyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-({[(13E,15S)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]amino}methyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-({[(13E,15S)-15-hydroxy-1,9-dioxoprost-13-én-1-yl]amino}méthyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[(13E,15S)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]amino]methyl]- [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: 686.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 368.8±27.3 °C
Index of Refraction: 1.533
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 232.27
ACD/KOC (pH 5.5): 1051.34
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 17.08
Polar Surface Area: 104 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 438.8±3.0 cm3

Click to predict properties on the Chemicalize site


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