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Search term: 117221160 (Found by CSID)
ChemSpider 2D Image | (2R)-2-{[(10E,12E,15E)-9-Hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyl henicosanoate | C42H77O9P

(2R)-2-{[(10E,12E,15E)-9-Hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyl henicosanoate

  • Molecular FormulaC42H77O9P
  • Average mass757.029 Da
  • Monoisotopic mass756.530518 Da
  • ChemSpider ID117221160

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-{[(10E,12E,15E)-9-Hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyl henicosanoate [ACD/IUPAC Name]
(2R)-2-{[(10E,12E,15E)-9-Hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, (2R)-2-[[(10E,12E,15E)-9-hydroxy-1-oxo-10,12,15-octadecatrien-1-yl]oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
Hénicosanoate de (2R)-2-{[(10E,12E,15E)-9-hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 800.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 437.6±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 213.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.98
ACD/LogD (pH 5.5): 8.68
ACD/BCF (pH 5.5): 362817.38
ACD/KOC (pH 5.5): 36653.22
ACD/LogD (pH 7.4): 7.75
ACD/BCF (pH 7.4): 42689.12
ACD/KOC (pH 7.4): 4312.62
Polar Surface Area: 149 Å2
Polarizability: 84.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 733.4±3.0 cm3

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