ChemSpider 2D Image | 3-[(2-Ammonioethyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate | C11H16N2O4S

3-[(2-Ammonioethyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate

  • Molecular FormulaC11H16N2O4S
  • Average mass272.321 Da
  • Monoisotopic mass272.083069 Da
  • ChemSpider ID21214252

More details:

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

3-[(2-Ammonioethyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-3-en-2-carboxylat [German] [ACD/IUPAC Name]
3-[(2-Ammonioethyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate [ACD/IUPAC Name]
3-[(2-Ammonioéthyl)sulfanyl]-6-(1-hydroxyéthyl)-7-oxo-1-azabicyclo[3.2.0]hept-3-ène-2-carboxylate [French] [ACD/IUPAC Name]
Ethanaminium, 2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-3-en-3-yl]thio]-, inner salt [ACD/Index Name]

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

Density:
Boiling Point: 558.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 291.4±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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