ChemSpider 2D Image | (22Z,25Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahentriaconta-22,25-dien-9-yl docosanoate | C48H92NO8P

(22Z,25Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-22,25-dien-9-yl docosanoate

  • Molecular FormulaC48H92NO8P
  • Average mass842.220 Da
  • Monoisotopic mass841.656067 Da
  • ChemSpider ID74850228

  • Double-bond stereo - Double-bond stereo

More details:

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

(22Z,25Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-22,25-dien-9-yl docosanoate [ACD/IUPAC Name]
(22Z,25Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-22,25-dien-9-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (22Z,25Z)-6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahéntriaconta-22,25-dién-9-yle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
[2-(docosanoyloxy)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
2-(docosanoyloxy)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(20:2(11Z,14Z)/22:0)

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: 812.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 445.4±37.1 °C
Index of Refraction: 1.479
Molar Refractivity: 243.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 18.22
ACD/LogD (pH 5.5): 13.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 858.6±3.0 cm3

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