Found 33 results

Search term: MF = 'C_{42}H_{77}O_{9}P'
ChemSpider 2D Image | (2R)-2-[(17-Methyloctadecanoyl)oxy]-3-(phosphonooxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate | C42H77O9P

(2R)-2-[(17-Methyloctadecanoyl)oxy]-3-(phosphonooxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate

  • Molecular FormulaC42H77O9P
  • Average mass757.029 Da
  • Monoisotopic mass756.530518 Da
  • ChemSpider ID117223227

  • 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-[(17-Methyloctadecanoyl)oxy]-3-(phosphonooxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate [ACD/IUPAC Name]
(2R)-2-[(17-Methyloctadecanoyl)oxy]-3-(phosphonooxy)propyl-(6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(6E,8E,11E)-5-Hydroxy-6,8,11-icosatriénoate de (2R)-2-[(17-méthyloctadecanoyl)oxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
6,8,11-Eicosatrienoic acid, 5-hydroxy-, (2R)-2-[(17-methyl-1-oxooctadecyl)oxy]-3-(phosphonooxy)propyl ester, (6E,8E,11E)- [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: 14.17
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 65551.44
ACD/KOC (pH 5.5): 10769.00
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 7713.10
ACD/KOC (pH 7.4): 1267.13
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

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