ChemSpider 2D Image | Methyl 3-({[3-(methylsulfonyl)propyl]sulfonyl}amino)-4-phenylbutanoate | C15H23NO6S2

Methyl 3-({[3-(methylsulfonyl)propyl]sulfonyl}amino)-4-phenylbutanoate

  • Molecular FormulaC15H23NO6S2
  • Average mass377.476 Da
  • Monoisotopic mass377.096680 Da
  • ChemSpider ID30278549

More details:

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

3-({[3-(Méthylsulfonyl)propyl]sulfonyl}amino)-4-phénylbutanoate de méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, β-[[[3-(methylsulfonyl)propyl]sulfonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-({[3-(methylsulfonyl)propyl]sulfonyl}amino)-4-phenylbutanoate [ACD/IUPAC Name]
Methyl-3-({[3-(methylsulfonyl)propyl]sulfonyl}amino)-4-phenylbutanoat [German] [ACD/IUPAC Name]
METHYL 3-(3-METHANESULFONYLPROPANESULFONAMIDO)-4-PHENYLBUTANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.7±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.57
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 88.89
Polar Surface Area: 123 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 292.5±3.0 cm3

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