ChemSpider 2D Image | 3,3-Dihydroxy-2-iminopropyl 3-{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}-2-{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl hydrogen phosphate | C40H76NO10P

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

  • Molecular FormulaC40H76NO10P
  • Average mass762.006 Da
  • Monoisotopic mass761.520691 Da
  • ChemSpider ID95555450

  • Double-bond stereo - Double-bond stereo

More details:

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

3,3-Dihydroxy-2-iminopropyl 3-{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}-2-{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propyl hydrogen phosphate [ACD/IUPAC Name]
3,3-Dihydroxy-2-iminopropyl-3-{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}-2-{[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy}propylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 3,3-dihydroxy-2-iminopropyle et de 3-{[(1E)-1-hydroxy-1-hexadécén-1-yl]oxy}-2-{[(1E,9E)-1-hydroxy-1,9-octadécadién-1-yl]oxy}propyle [French] [ACD/IUPAC Name]
Phosphoric acid, 3,3-dihydroxy-2-iminopropyl 3-[[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy]-2-[[(1E,9E)-1-hydroxy-1,9-octadecadien-1-yl]oxy]propyl 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: 848.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.2±6.0 kJ/mol
Flash Point: 467.0±37.1 °C
Index of Refraction: 1.500
Molar Refractivity: 206.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 4
ACD/LogP: 14.91
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 125406.90
ACD/KOC (pH 5.5): 24918.48
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 26833.13
ACD/KOC (pH 7.4): 5331.77
Polar Surface Area: 189 Å2
Polarizability: 81.7±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 699.9±7.0 cm3

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