ChemSpider 2D Image | (2R)-1-(Nonadecanoyloxy)-3-(phosphonooxy)-2-propanyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate | C42H77O10P

(2R)-1-(Nonadecanoyloxy)-3-(phosphonooxy)-2-propanyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate

  • Molecular FormulaC42H77O10P
  • Average mass773.029 Da
  • Monoisotopic mass772.525452 Da
  • ChemSpider ID117220258

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-1-(Nonadecanoyloxy)-3-(phosphonooxy)-2-propanyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2R)-1-(Nonadecanoyloxy)-3-(phosphonooxy)-2-propanyl-(8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-5,6-Dihydroxy-8,11,14-icosatriénoate de (2R)-1-(nonadecanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 5,6-dihydroxy-, (1R)-2-[(1-oxononadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 817.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.3±6.0 kJ/mol
Flash Point: 448.4±37.1 °C
Index of Refraction: 1.500
Molar Refractivity: 215.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 12.42
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 39505.69
ACD/KOC (pH 5.5): 7493.92
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 4648.69
ACD/KOC (pH 7.4): 881.82
Polar Surface Area: 170 Å2
Polarizability: 85.2±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 731.3±3.0 cm3

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