Found 33 results

Search term: MF = 'C_{42}H_{77}O_{9}P'
ChemSpider 2D Image | (2R)-2-{[(10E,12E,15E)-9-Hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyl 19-methylicosanoate | C42H77O9P

(2R)-2-{[(10E,12E,15E)-9-Hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyl 19-methylicosanoate

  • Molecular FormulaC42H77O9P
  • Average mass757.029 Da
  • Monoisotopic mass756.530518 Da
  • ChemSpider ID117223394

  • 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 19-methylicosanoate [ACD/IUPAC Name]
(2R)-2-{[(10E,12E,15E)-9-Hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyl-19-methylicosanoat [German] [ACD/IUPAC Name]
19-Méthylicosanoate de (2R)-2-{[(10E,12E,15E)-9-hydroxy-10,12,15-octadecatrienoyl]oxy}-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 19-methyl-, (2R)-2-[[(10E,12E,15E)-9-hydroxy-1-oxo-10,12,15-octadecatrien-1-yl]oxy]-3-(phosphonooxy)propyl ester [ACD/Index 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: 797.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.0±6.0 kJ/mol
Flash Point: 435.8±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: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.80
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 51662.26
ACD/KOC (pH 5.5): 9082.09
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 6078.58
ACD/KOC (pH 7.4): 1068.60
Polar Surface Area: 149 Å2
Polarizability: 84.6±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 733.8±3.0 cm3

Click to predict properties on the Chemicalize site


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