ChemSpider 2D Image | (7E)-8-Hydroxy-7-({(Z)-1-hydroxy-2-[(trifluoromethyl)sulfanyl]vinyl}imino)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C13H13F3N6O4S3

(7E)-8-Hydroxy-7-({(Z)-1-hydroxy-2-[(trifluoromethyl)sulfanyl]vinyl}imino)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC13H13F3N6O4S3
  • Average mass470.470 Da
  • Monoisotopic mass470.011261 Da
  • ChemSpider ID95543801

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E)-8-Hydroxy-7-({(Z)-1-hydroxy-2-[(trifluormethyl)sulfanyl]vinyl}imino)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(7E)-8-Hydroxy-7-({(Z)-1-hydroxy-2-[(trifluoromethyl)sulfanyl]vinyl}imino)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-hydroxy-7-[[(Z)-1-hydroxy-2-[(trifluoromethyl)thio]ethenyl]imino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-, (7E)- [ACD/Index Name]
Acide (7E)-8-hydroxy-7-({(Z)-1-hydroxy-2-[(trifluorométhyl)sulfanyl]vinyl}imino)-3-{[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 652.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.3±34.3 °C
Index of Refraction: 1.780
Molar Refractivity: 101.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 26.85
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 77.0±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

Click to predict properties on the Chemicalize site


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