ChemSpider 2D Image | 2,3-Bis{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}propyl dihydrogen phosphate | C35H69O8P

2,3-Bis{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}propyl dihydrogen phosphate

  • Molecular FormulaC35H69O8P
  • Average mass648.891 Da
  • Monoisotopic mass648.473022 Da
  • ChemSpider ID95632106

More details:






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

1-Hexadecen-1-ol, 1,1'-[[1-[(phosphonooxy)methyl]-1,2-ethanediyl]bis(oxy)]bis-, (1E,1'E)- [ACD/Index Name]
2,3-Bis{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}propyl dihydrogen phosphate [ACD/IUPAC Name]
2,3-Bis{[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy}propyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2,3-bis{[(1E)-1-hydroxy-1-hexadécén-1-yl]oxy}propyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 741.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 402.5±35.7 °C
Index of Refraction: 1.493
Molar Refractivity: 182.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.54
ACD/LogD (pH 5.5): 8.28
ACD/BCF (pH 5.5): 182405.66
ACD/KOC (pH 5.5): 22980.86
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 20936.81
ACD/KOC (pH 7.4): 2637.78
Polar Surface Area: 135 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 626.7±3.0 cm3

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