ChemSpider 2D Image | 2-(3-Pyridinyl)ethyl trihydrogen diphosphate | C7H11NO7P2

2-(3-Pyridinyl)ethyl trihydrogen diphosphate

  • Molecular FormulaC7H11NO7P2
  • Average mass283.112 Da
  • Monoisotopic mass283.001068 Da
  • ChemSpider ID31120745

More details:






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

2-(3-Pyridinyl)ethyl trihydrogen diphosphate [ACD/IUPAC Name]
2-(3-Pyridinyl)ethyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[2-(3-pyridinyl)ethyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de 2-(3-pyridinyl)éthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 541.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.4±30.7 °C
Index of Refraction: 1.574
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -6.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 84.1±3.0 dyne/cm
Molar Volume: 169.0±3.0 cm3

Click to predict properties on the Chemicalize site






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