ChemSpider 2D Image | (17Z,20Z,23Z,26Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacosa-17,20,23,26-tetraen-9-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C47H76NO8P

(17Z,20Z,23Z,26Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23,26-tetraen-9-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC47H76NO8P
  • Average mass814.082 Da
  • Monoisotopic mass813.530884 Da
  • ChemSpider ID74850965

  • Double-bond stereo - Double-bond stereo

More details:

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

(17Z,20Z,23Z,26Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23,26-tetraen-9-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(17Z,20Z,23Z,26Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23,26-tetraen-9-yl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (17Z,20Z,23Z,26Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23,26-tétraén-9-yle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-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: 13.28
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 58532.22
ACD/KOC (pH 5.5): 17516.35
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 54645.10
ACD/KOC (pH 7.4): 16353.08
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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