ChemSpider 2D Image | (19Z,23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphanonacos-19-en-23-yl (11Z,14Z)-11,14-icosadienoate | C45H86NO7P

(19Z,23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacos-19-en-23-yl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC45H86NO7P
  • Average mass784.141 Da
  • Monoisotopic mass783.614197 Da
  • ChemSpider ID113376025

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11Z,14Z)-11,14-Icosadiénoate de (19Z,23R)-29-amino-26-hydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacos-19-én-23-yle [French] [ACD/IUPAC Name]
(19Z,23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacos-19-en-23-yl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
(19Z,23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacos-19-en-23-yl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-eicosen-1-yloxy]methyl]ethyl ester, (11Z,14Z)- [ACD/Index Name]
1-(1Z-eicosenyl)-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphoethanolamine
PE(P-20:0/20:2(11Z,14Z))
PE(P-20:0/20:2)
PE(P-40:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 785.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 124.3±6.0 kJ/mol
Flash Point: 429.0±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 229.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 17.49
ACD/LogD (pH 5.5): 12.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8810782.00
ACD/LogD (pH 7.4): 12.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7112287.50
Polar Surface Area: 127 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 800.5±3.0 cm3

Click to predict properties on the Chemicalize site


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