ChemSpider 2D Image | 4-Methyl-2-[({[2-methyl-5-(methylsulfonyl)phenyl]sulfonyl}amino)methyl]pentanoic acid | C15H23NO6S2

4-Methyl-2-[({[2-methyl-5-(methylsulfonyl)phenyl]sulfonyl}amino)methyl]pentanoic acid

  • Molecular FormulaC15H23NO6S2
  • Average mass377.476 Da
  • Monoisotopic mass377.096680 Da
  • ChemSpider ID54806561

More details:

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

4-Methyl-2-[({[2-methyl-5-(methylsulfonyl)phenyl]sulfonyl}amino)methyl]pentanoic acid [ACD/IUPAC Name]
4-Methyl-2-[({[2-methyl-5-(methylsulfonyl)phenyl]sulfonyl}amino)methyl]pentansäure [German] [ACD/IUPAC Name]
Acide 4-méthyl-2-[({[2-méthyl-5-(méthylsulfonyl)phényl]sulfonyl}amino)méthyl]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-methyl-2-[[[[2-methyl-5-(methylsulfonyl)phenyl]sulfonyl]amino]methyl]- [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: 606.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.3±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.06
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 292.5±3.0 cm3

Click to predict properties on the Chemicalize site


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