ChemSpider 2D Image | (6E)-6-(2-Hydroxyethylidene)-4-methyl-7-oxo-3-[(2-pyridinylmethyl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C16H16N2O4S

(6E)-6-(2-Hydroxyethylidene)-4-methyl-7-oxo-3-[(2-pyridinylmethyl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC16H16N2O4S
  • Average mass332.374 Da
  • Monoisotopic mass332.083069 Da
  • ChemSpider ID120330182

More details:

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

(6E)-6-(2-Hydroxyethyliden)-4-methyl-7-oxo-3-[(2-pyridinylmethyl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6E)-6-(2-Hydroxyethylidene)-4-methyl-7-oxo-3-[(2-pyridinylmethyl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(2-hydroxyethylidene)-4-methyl-7-oxo-3-[(2-pyridinylmethyl)thio]-, (6E)- [ACD/Index Name]
Acide (6E)-6-(2-hydroxyéthylidène)-4-méthyl-7-oxo-3-[(2-pyridinylméthyl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 598.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.7±30.1 °C
Index of Refraction: 1.697
Molar Refractivity: 85.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 222.3±5.0 cm3

Click to predict properties on the Chemicalize site


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