ChemSpider 2D Image | 2-Methyl-2-propanyl 3-{[4-(3-{[(methylsulfonyl)oxy]methyl}-1-azetidinyl)phenyl]sulfonyl}-1-azetidinecarboxylate | C19H28N2O7S2

2-Methyl-2-propanyl 3-{[4-(3-{[(methylsulfonyl)oxy]methyl}-1-azetidinyl)phenyl]sulfonyl}-1-azetidinecarboxylate

  • Molecular FormulaC19H28N2O7S2
  • Average mass460.565 Da
  • Monoisotopic mass460.133789 Da
  • ChemSpider ID74830703

More details:

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

1-Azetidinecarboxylic acid, 3-[[4-[3-[[(methylsulfonyl)oxy]methyl]-1-azetidinyl]phenyl]sulfonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[4-(3-{[(methylsulfonyl)oxy]methyl}-1-azetidinyl)phenyl]sulfonyl}-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[4-(3-{[(methylsulfonyl)oxy]methyl}-1-azetidinyl)phenyl]sulfonyl}-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-{[4-(3-{[(Méthylsulfonyl)oxy]méthyl}-1-azétidinyl)phényl]sulfonyl}-1-azétidinecarboxylate de 2-méthyl-2-propanyle [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: 671.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.2±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 80.11
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.21
ACD/KOC (pH 7.4): 80.12
Polar Surface Area: 127 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 338.2±3.0 cm3

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