ChemSpider 2D Image | 2,3-Bis{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl 2,3-dihydroxypropyl hydrogen phosphate | C42H79O10P

2,3-Bis{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl 2,3-dihydroxypropyl hydrogen phosphate

  • Molecular FormulaC42H79O10P
  • Average mass775.044 Da
  • Monoisotopic mass774.541077 Da
  • ChemSpider ID95547834

  • Double-bond stereo - Double-bond stereo

More details:

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

2,3-Bis{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl 2,3-dihydroxypropyl hydrogen phosphate [ACD/IUPAC Name]
2,3-Bis{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl-2,3-dihydroxypropylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2,3-bis{[(1E,9E)-1-hydroxy-1,9-octadécadién-1-yl]oxy}propyle et de 2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2,3-bis[[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy]propyl 2,3-dihydroxypropyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 843.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.4±6.0 kJ/mol
Flash Point: 464.0±37.1 °C
Index of Refraction: 1.506
Molar Refractivity: 218.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 14.98
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 83416.46
ACD/KOC (pH 5.5): 12367.59
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 69135.66
ACD/KOC (pH 7.4): 10250.27
Polar Surface Area: 165 Å2
Polarizability: 86.4±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 733.8±3.0 cm3

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