ChemSpider 2D Image | 6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphaheptacosan-9-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C42H76NO8P

6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC42H76NO8P
  • Average mass754.029 Da
  • Monoisotopic mass753.530884 Da
  • ChemSpider ID74851480

  • Double-bond stereo - Double-bond stereo

More details:

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

(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de 6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yle [French] [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
[3-(hexadecanoyloxy)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
3-(hexadecanoyloxy)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(16:0/20:4(8Z,11Z,14Z,17Z))

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 759.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.3±6.0 kJ/mol
Flash Point: 413.0±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.67
ACD/LogD (pH 5.5): 9.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 169657.02
ACD/LogD (pH 7.4): 9.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 165849.14
Polar Surface Area: 130 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 746.8±3.0 cm3

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