ChemSpider 2D Image | (22Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahentriacont-22-en-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C49H86NO8P

(22Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacont-22-en-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC49H86NO8P
  • Average mass848.183 Da
  • Monoisotopic mass847.609131 Da
  • ChemSpider ID74851021

  • Double-bond stereo - Double-bond stereo

More details:

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

(22Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacont-22-en-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(22Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacont-22-en-9-yl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de (22Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahéntriacont-22-én-9-yle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(11Z)-icos-11-enoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(11Z)-icos-11-enoyloxy]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: 812.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 445.1±37.1 °C
Index of Refraction: 1.498
Molar Refractivity: 248.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.34
ACD/LogD (pH 5.5): 10.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1510494.38
ACD/LogD (pH 7.4): 10.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1410156.13
Polar Surface Area: 121 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 848.0±3.0 cm3

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