ChemSpider 2D Image | 2,3-Bis{[(1E)-1-hydroxy-1-octadecen-1-yl]oxy}propyl 3,3-dihydroxy-2-iminopropyl hydrogen phosphate | C42H82NO10P

2,3-Bis{[(1E)-1-hydroxy-1-octadecen-1-yl]oxy}propyl 3,3-dihydroxy-2-iminopropyl hydrogen phosphate

  • Molecular FormulaC42H82NO10P
  • Average mass792.075 Da
  • Monoisotopic mass791.567627 Da
  • ChemSpider ID95762792

More details:

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

2,3-Bis{[(1E)-1-hydroxy-1-octadecen-1-yl]oxy}propyl 3,3-dihydroxy-2-iminopropyl hydrogen phosphate [ACD/IUPAC Name]
2,3-Bis{[(1E)-1-hydroxy-1-octadecen-1-yl]oxy}propyl-3,3-dihydroxy-2-iminopropylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2,3-bis{[(1E)-1-hydroxy-1-octadécén-1-yl]oxy}propyle et de 3,3-dihydroxy-2-iminopropyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2,3-bis[[(1E)-1-hydroxy-1-octadecen-1-yl]oxy]propyl 3,3-dihydroxy-2-iminopropyl 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: 844.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.5±6.0 kJ/mol
Flash Point: 464.4±37.1 °C
Index of Refraction: 1.500
Molar Refractivity: 215.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 16.50
ACD/LogD (pH 5.5): 9.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 135403.81
ACD/LogD (pH 7.4): 8.57
ACD/BCF (pH 7.4): 285541.28
ACD/KOC (pH 7.4): 28972.60
Polar Surface Area: 189 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 731.9±7.0 cm3

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