ChemSpider 2D Image | 6-[(1R)-1-Hydroxyethyl]-7-oxo-3-(tetrahydro-2-furanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C12H15NO5S

6-[(1R)-1-Hydroxyethyl]-7-oxo-3-(tetrahydro-2-furanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC12H15NO5S
  • Average mass285.316 Da
  • Monoisotopic mass285.067108 Da
  • ChemSpider ID110806706

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-(tetrahydro-2-furanyl)- [ACD/Index Name]
6-[(1R)-1-Hydroxyethyl]-7-oxo-3-(tetrahydro-2-furanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
6-[(1R)-1-Hydroxyethyl]-7-oxo-3-(tetrahydro-2-furanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-[(1R)-1-hydroxyéthyl]-7-oxo-3-(tétrahydro-2-furanyl)-4-thia-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: 1.6±0.1 g/cm3
Boiling Point: 570.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 298.7±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 181.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement