ChemSpider 2D Image | 24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate | C44H79O10P

24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate

  • Molecular FormulaC44H79O10P
  • Average mass799.066 Da
  • Monoisotopic mass798.541077 Da
  • ChemSpider ID29273236

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z)-4,7,10,13-Icosatétraénoate de 24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yle [French] [ACD/IUPAC Name]
24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate [ACD/IUPAC Name]
24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl-(4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoat [German] [ACD/IUPAC Name]
4,7,10,13-Eicosatetraenoic acid, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z)- [ACD/Index Name]
Phosphatidylglyceride 18:0-20:4

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

Density: 1.0±0.1 g/cm3
Boiling Point: 812.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.4±6.0 kJ/mol
Flash Point: 445.0±37.1 °C
Index of Refraction: 1.498
Molar Refractivity: 224.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.01
ACD/LogD (pH 5.5): 8.63
ACD/BCF (pH 5.5): 320153.13
ACD/KOC (pH 5.5): 32248.83
ACD/LogD (pH 7.4): 8.56
ACD/BCF (pH 7.4): 270820.50
ACD/KOC (pH 7.4): 27279.58
Polar Surface Area: 159 Å2
Polarizability: 89.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 766.4±3.0 cm3

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