ChemSpider 2D Image | 1-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-1-oxo-2-propanyl N-(phenylsulfonyl)valinate | C19H28N2O7S2

1-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-1-oxo-2-propanyl N-(phenylsulfonyl)valinate

  • Molecular FormulaC19H28N2O7S2
  • Average mass460.565 Da
  • Monoisotopic mass460.133789 Da
  • ChemSpider ID21943227

More details:

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

1-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-1-oxo-2-propanyl N-(phenylsulfonyl)valinate [ACD/IUPAC Name]
1-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-1-oxo-2-propanyl-N-(phenylsulfonyl)valinat [German] [ACD/IUPAC Name]
N-(Phénylsulfonyl)valinate de 1-[(1,1-dioxydotétrahydro-3-thiophényl)(méthyl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Valine, N-(phenylsulfonyl)-, 1-methyl-2-[methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index 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: 676.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.94
ACD/KOC (pH 5.5): 92.85
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 87.37
Polar Surface Area: 144 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 338.9±5.0 cm3

Click to predict properties on the Chemicalize site


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