ChemSpider 2D Image | (2R)-1-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)-2-propanyl stearate | C37H71O8P

(2R)-1-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)-2-propanyl stearate

  • Molecular FormulaC37H71O8P
  • Average mass674.929 Da
  • Monoisotopic mass674.488647 Da
  • ChemSpider ID75336460

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)-2-propanyl stearate [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (1R)-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
Stéarate de (2R)-1-[(9Z)-9-hexadecenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(9Z-hexadecenoyl)-2-octadecanoyl-glycero-3-phosphate
PA(16:1(9Z)/18:0)
PA(16:1_18:0)
PA(34:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 725.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 188.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 14.22
ACD/LogD (pH 5.5): 9.26
ACD/BCF (pH 5.5): 995638.56
ACD/KOC (pH 5.5): 75496.09
ACD/LogD (pH 7.4): 8.33
ACD/BCF (pH 7.4): 117146.78
ACD/KOC (pH 7.4): 8882.87
Polar Surface Area: 129 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 665.8±3.0 cm3

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