ChemSpider 2D Image | [(3aR,4R,7aS)-1,3-Dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl]phosphonic acid | C14H14NO5P

[(3aR,4R,7aS)-1,3-Dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl]phosphonic acid

  • Molecular FormulaC14H14NO5P
  • Average mass307.238 Da
  • Monoisotopic mass307.060974 Da
  • ChemSpider ID74154758

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3aR,4R,7aS)-1,3-Dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl]phosphonic acid [ACD/IUPAC Name]
[(3aR,4R,7aS)-1,3-Dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(3aR,4R,7aS)-1,3-dioxo-2-phényl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(3aR,4R,7aS)-2,3,3a,4,7,7a-hexahydro-1,3-dioxo-2-phenyl-1H-isoindol-4-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 643.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.1±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 73.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 200.2±5.0 cm3

Click to predict properties on the Chemicalize site


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