ChemSpider 2D Image | 2,3-Bis{[(1E)-1-hydroxy-1-heptadecen-1-yl]oxy}propyl 3,3-dihydroxy-2-iminopropyl hydrogen phosphate | C40H78NO10P

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

  • Molecular FormulaC40H78NO10P
  • Average mass764.022 Da
  • Monoisotopic mass763.536316 Da
  • ChemSpider ID95603808

More details:

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

2,3-Bis{[(1E)-1-hydroxy-1-heptadecen-1-yl]oxy}propyl 3,3-dihydroxy-2-iminopropyl hydrogen phosphate [ACD/IUPAC Name]
2,3-Bis{[(1E)-1-hydroxy-1-heptadecen-1-yl]oxy}propyl-3,3-dihydroxy-2-iminopropylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2,3-bis{[(1E)-1-hydroxy-1-heptadécén-1-yl]oxy}propyle et de 3,3-dihydroxy-2-iminopropyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2,3-bis[[(1E)-1-hydroxy-1-heptadecen-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: 828.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 454.8±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: 40
#Rule of 5 Violations: 4
ACD/LogP: 15.43
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 274985.38
ACD/KOC (pH 5.5): 43711.71
ACD/LogD (pH 7.4): 7.67
ACD/BCF (pH 7.4): 58839.19
ACD/KOC (pH 7.4): 9353.08
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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