ChemSpider 2D Image | (9E,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26lambda~5~-phosphanonacos-9-en-23-yl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate | C45H80NO8P

(9E,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacos-9-en-23-yl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC45H80NO8P
  • Average mass794.092 Da
  • Monoisotopic mass793.562134 Da
  • ChemSpider ID59698837

  • 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

(8E,11E,14E,17E)-8,11,14,17-Icosatétraénoate de (9E,23R)-29-amino-26-hydroxy-20-oxo-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacos-9-én-23-yle [French] [ACD/IUPAC Name]
(9E,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacos-9-en-23-yl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(9E,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacos-9-en-23-yl-(8E,11E,14E,17E)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(11E)-1-oxo-11-eicosen-1-yl]oxy]methyl]ethyl ester, (8E,11E,14E,17E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(icos-11-enoyloxy)-2-(icosa-8,11,14,17-tetraenoyloxy)propoxy]phosphinic acid
PE(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 793.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 433.5±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 15.04
ACD/LogD (pH 5.5): 8.90
ACD/BCF (pH 5.5): 866375.19
ACD/KOC (pH 5.5): 120467.30
ACD/LogD (pH 7.4): 8.81
ACD/BCF (pH 7.4): 697980.75
ACD/KOC (pH 7.4): 97052.48
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 784.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement