ChemSpider 2D Image | 3,3-Dimethyl-7-oxo-6-{[(trifluoromethyl)sulfonyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide | C9H11F3N2O7S2

3,3-Dimethyl-7-oxo-6-{[(trifluoromethyl)sulfonyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide

  • Molecular FormulaC9H11F3N2O7S2
  • Average mass380.318 Da
  • Monoisotopic mass379.995972 Da
  • ChemSpider ID28571815

More details:

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

3,3-Dimethyl-7-oxo-6-{[(trifluormethyl)sulfonyl]amino}-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure-4,4-dioxid [German] [ACD/IUPAC Name]
3,3-Dimethyl-7-oxo-6-{[(trifluoromethyl)sulfonyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(trifluoromethyl)sulfonyl]amino]-, 4,4-dioxide [ACD/Index Name]
Acide 4,4-dioxyde de 3,3-diméthyl-7-oxo-6-{[(trifluorométhyl)sulfonyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
881-70-9 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 615.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 326.0±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 66.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -3.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 202.9±5.0 cm3

Click to predict properties on the Chemicalize site


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