ChemSpider 2D Image | (19Z,22Z,25Z,28Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahentriaconta-19,22,25,28-tetraen-9-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C47H76NO8P

(19Z,22Z,25Z,28Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-19,22,25,28-tetraen-9-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC47H76NO8P
  • Average mass814.082 Da
  • Monoisotopic mass813.530884 Da
  • ChemSpider ID74851158

  • Double-bond stereo - Double-bond stereo

More details:

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

(19Z,22Z,25Z,28Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-19,22,25,28-tetraen-9-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(19Z,22Z,25Z,28Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-19,22,25,28-tetraen-9-yl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (19Z,22Z,25Z,28Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahéntriaconta-19,22,25,28-tétraén-9-yle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy)phosphinic acid

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: 793.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 433.8±35.7 °C
Index of Refraction: 1.514
Molar Refractivity: 239.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.33
ACD/LogD (pH 5.5): 7.40
ACD/BCF (pH 5.5): 62654.70
ACD/KOC (pH 5.5): 18390.83
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 58493.42
ACD/KOC (pH 7.4): 17169.38
Polar Surface Area: 121 Å2
Polarizability: 94.9±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 795.9±3.0 cm3

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