ChemSpider 2D Image | (3E,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C8H9NO5

(3E,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC8H9NO5
  • Average mass199.161 Da
  • Monoisotopic mass199.048065 Da
  • ChemSpider ID61453900

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3E,5R)-3-(2-Hydroxyethyliden)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(3E,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (3E,5R)- [ACD/Index Name]
Acide (3E,5R)-3-(2-hydroxyéthylidène)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
2089472-60-4 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 545.8±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: 283.9±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 43.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 82.3±5.0 dyne/cm
Molar Volume: 120.3±5.0 cm3

Click to predict properties on the Chemicalize site


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