ChemSpider 2D Image | 2-{[(1E,9E)-1-Hydroxy-1,9-octadecadien-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-octadecen-1-yl]oxy}propyl dihydrogen phosphate | C39H75O8P

2-{[(1E,9E)-1-Hydroxy-1,9-octadecadien-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-octadecen-1-yl]oxy}propyl dihydrogen phosphate

  • Molecular FormulaC39H75O8P
  • Average mass702.982 Da
  • Monoisotopic mass702.519958 Da
  • ChemSpider ID95595236

  • Double-bond stereo - Double-bond stereo

More details:

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

1,9-Octadecadien-1-ol, 1-[2-[[(1E)-1-hydroxy-1-octadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethoxy]-, (1E,9E)- [ACD/Index Name]
2-{[(1E,9E)-1-Hydroxy-1,9-octadecadien-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-octadecen-1-yl]oxy}propyl dihydrogen phosphate [ACD/IUPAC Name]
2-{[(1E,9E)-1-Hydroxy-1,9-octadecadien-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-octadecen-1-yl]oxy}propyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2-{[(1E,9E)-1-hydroxy-1,9-octadécadién-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-octadécén-1-yl]oxy}propyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 792.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 433.1±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 200.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 16.15
ACD/LogD (pH 5.5): 10.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 265075.38
ACD/LogD (pH 7.4): 9.29
ACD/BCF (pH 7.4): 637660.13
ACD/KOC (pH 7.4): 30425.47
Polar Surface Area: 135 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 686.4±3.0 cm3

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