ChemSpider 2D Image | (2R)-1-[(19-Methylicosanoyl)oxy]-3-(phosphonooxy)-2-propanyl (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate | C44H79O10P

(2R)-1-[(19-Methylicosanoyl)oxy]-3-(phosphonooxy)-2-propanyl (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate

  • Molecular FormulaC44H79O10P
  • Average mass799.066 Da
  • Monoisotopic mass798.541077 Da
  • ChemSpider ID117223380

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-1-[(19-Methylicosanoyl)oxy]-3-(phosphonooxy)-2-propanyl (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-1-[(19-Methylicosanoyl)oxy]-3-(phosphonooxy)-2-propanyl-(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(5R,6R,8Z,11Z,14Z,17Z)-5,6-Dihydroxy-8,11,14,17-icosatétraénoate de (2R)-1-[(19-méthylicosanoyl)oxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, 5,6-dihydroxy-, (1R)-2-[(19-methyl-1-oxoeicosyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (5R,6R,8Z,11Z,14Z,17Z)- [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: 831.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.4±6.0 kJ/mol
Flash Point: 456.4±37.1 °C
Index of Refraction: 1.503
Molar Refractivity: 224.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 12.62
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 6151.25
ACD/KOC (pH 5.5): 1979.56
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 723.83
ACD/KOC (pH 7.4): 232.94
Polar Surface Area: 170 Å2
Polarizability: 88.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 758.3±3.0 cm3

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