ChemSpider 2D Image | 3-[(3-Aminopropyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C11H16N2O4S2

3-[(3-Aminopropyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC11H16N2O4S2
  • Average mass304.386 Da
  • Monoisotopic mass304.055145 Da
  • ChemSpider ID28566740

More details:






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

3-[(3-Aminopropyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
3-[(3-Aminopropyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(3-aminopropyl)thio]-6-(1-hydroxyethyl)-7-oxo- [ACD/Index Name]
Acide 3-[(3-aminopropyl)sulfanyl]-6-(1-hydroxyéthyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
85474-80-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 545.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 283.8±30.1 °C
Index of Refraction: 1.696
Molar Refractivity: 75.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -3.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 84.1±5.0 dyne/cm
Molar Volume: 195.1±5.0 cm3

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