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Search term: ZYKIFISVQNGKFE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl stearate | C24H49O9P

1-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl stearate

  • Molecular FormulaC24H49O9P
  • Average mass512.614 Da
  • Monoisotopic mass512.311401 Da
  • ChemSpider ID59664330

More details:

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

1-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl stearate [ACD/IUPAC Name]
1-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester [ACD/Index Name]
Stéarate de 1-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
(2,3-dihydroxypropoxy)[3-hydroxy-2-(octadecanoyloxy)propoxy]phosphinic acid
2,3-dihydroxypropoxy(3-hydroxy-2-(octadecanoyloxy)propoxy)phosphinic acid

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 645.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±6.0 kJ/mol
Flash Point: 344.2±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 8.52
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 7.20
Polar Surface Area: 153 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 455.8±3.0 cm3

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