ChemSpider 2D Image | 4-Pyridinylmethyl trihydrogen diphosphate | C6H9NO7P2

4-Pyridinylmethyl trihydrogen diphosphate

  • Molecular FormulaC6H9NO7P2
  • Average mass269.086 Da
  • Monoisotopic mass268.985413 Da
  • ChemSpider ID31120371

More details:

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

4-Pyridinylmethyl trihydrogen diphosphate [ACD/IUPAC Name]
4-Pyridinylmethyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono(4-pyridinylmethyl) ester [ACD/Index Name]
Pyridin-4-Ylmethyl Trihydrogen Diphosphate
Trihydrogénodiphosphate de 4-pyridinylméthyle [French] [ACD/IUPAC Name]
2E5

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

Density: 1.8±0.1 g/cm3
Boiling Point: 538.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.6±30.7 °C
Index of Refraction: 1.585
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -7.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 91.7±3.0 dyne/cm
Molar Volume: 152.5±3.0 cm3

Click to predict properties on the Chemicalize site


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