ChemSpider 2D Image | 1-{[2-Methoxy-5-(methylsulfonyl)phenyl]sulfonyl}-6-methyl-3-piperidinecarboxylic acid | C15H21NO7S2

1-{[2-Methoxy-5-(methylsulfonyl)phenyl]sulfonyl}-6-methyl-3-piperidinecarboxylic acid

  • Molecular FormulaC15H21NO7S2
  • Average mass391.460 Da
  • Monoisotopic mass391.075928 Da
  • ChemSpider ID63840507

More details:

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

1-{[2-Methoxy-5-(methylsulfonyl)phenyl]sulfonyl}-6-methyl-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{[2-Methoxy-5-(methylsulfonyl)phenyl]sulfonyl}-6-methyl-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[2-methoxy-5-(methylsulfonyl)phenyl]sulfonyl]-6-methyl- [ACD/Index Name]
Acide 1-{[2-méthoxy-5-(méthylsulfonyl)phényl]sulfonyl}-6-méthyl-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.1±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.79
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 282.8±3.0 cm3

Click to predict properties on the Chemicalize site


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