ChemSpider 2D Image | (23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphanonacosan-23-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C45H86NO7P

(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC45H86NO7P
  • Average mass784.141 Da
  • Monoisotopic mass783.614197 Da
  • ChemSpider ID113375960

  • 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

(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (23R)-29-amino-26-hydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosan-23-yle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
1-eicosyl-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamine
PE(O-20:0/20:3(8Z,11Z,14Z))
PE(O-20:0/20:3)
PE(O-40:3)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 783.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 123.9±6.0 kJ/mol
Flash Point: 427.6±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: 16.74
ACD/LogD (pH 5.5): 11.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4534500.00
ACD/LogD (pH 7.4): 11.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3661654.00
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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