ChemSpider 2D Image | (6R,7R)-7-Amino-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid | C8H10N2O3S

(6R,7R)-7-Amino-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

  • Molecular FormulaC8H10N2O3S
  • Average mass214.242 Da
  • Monoisotopic mass214.041214 Da
  • ChemSpider ID61635831

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6R,7R)-7-Amino-3-methylen-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-Amino-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 7-amino-3-methylene-8-oxo-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-amino-3-méthylène-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylique [French] [ACD/IUPAC Name]
36996-01-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 498.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 255.5±28.7 °C
Index of Refraction: 1.681
Molar Refractivity: 51.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 136.8±5.0 cm3

Click to predict properties on the Chemicalize site


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