ChemSpider 2D Image | 3-[(1R,6R)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]alanine | C9H13NO4

3-[(1R,6R)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]alanine

  • Molecular FormulaC9H13NO4
  • Average mass199.204 Da
  • Monoisotopic mass199.084457 Da
  • ChemSpider ID110557845

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

3-[(1R,6R)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]alanin [German] [ACD/IUPAC Name]
3-[(1R,6R)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]alanine [ACD/IUPAC Name]
3-[(1R,6R)-5-Oxo-7-oxabicyclo[4.1.0]hept-2-yl]alanine [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]heptane-2-propanoic acid, α-amino-5-oxo-, (1R,6R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 415.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±6.0 kJ/mol
Flash Point: 205.3±24.6 °C
Index of Refraction: 1.552
Molar Refractivity: 46.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 145.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement