Found 33 results

Search term: MF = 'C_{42}H_{77}O_{9}P'
ChemSpider 2D Image | (2R)-1-{[(10E,12Z)-9-Oxo-10,12-octadecadienoyl]oxy}-3-(phosphonooxy)-2-propanyl 18-methylicosanoate | C42H77O9P

(2R)-1-{[(10E,12Z)-9-Oxo-10,12-octadecadienoyl]oxy}-3-(phosphonooxy)-2-propanyl 18-methylicosanoate

  • Molecular FormulaC42H77O9P
  • Average mass757.029 Da
  • Monoisotopic mass756.530518 Da
  • ChemSpider ID117222438

  • 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)-1-{[(10E,12Z)-9-Oxo-10,12-octadecadienoyl]oxy}-3-(phosphonooxy)-2-propanyl 18-methylicosanoate [ACD/IUPAC Name]
(2R)-1-{[(10E,12Z)-9-Oxo-10,12-octadecadienoyl]oxy}-3-(phosphonooxy)-2-propanyl-18-methylicosanoat [German] [ACD/IUPAC Name]
18-Méthylicosanoate de (2R)-1-{[(10E,12Z)-9-oxo-10,12-octadecadienoyl]oxy}-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 18-methyl-, (1R)-2-[[(10E,12Z)-1,9-dioxo-10,12-octadecadien-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl 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: 801.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.6±6.0 kJ/mol
Flash Point: 438.3±37.1 °C
Index of Refraction: 1.485
Molar Refractivity: 211.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.84
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 102141.00
ACD/KOC (pH 5.5): 14793.77
ACD/LogD (pH 7.4): 7.03
ACD/BCF (pH 7.4): 12017.94
ACD/KOC (pH 7.4): 1740.64
Polar Surface Area: 146 Å2
Polarizability: 84.0±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 739.4±3.0 cm3

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