ChemSpider 2D Image | (22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacos-22-en-9-yl tetracosanoate | C48H94NO8P

(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl tetracosanoate

  • Molecular FormulaC48H94NO8P
  • Average mass844.236 Da
  • Monoisotopic mass843.671692 Da
  • ChemSpider ID74850008

  • Double-bond stereo - Double-bond stereo

More details:

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

(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl tetracosanoate [ACD/IUPAC Name]
(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (22Z)-6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-én-9-yle [French] [ACD/IUPAC Name]
Tetracosanoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
[2-(methylamino)ethoxy]({3-[(11Z)-octadec-11-enoyloxy]-2-(tetracosanoyloxy)propoxy})phosphinic acid
2-(methylamino)ethoxy(3-[(11Z)-octadec-11-enoyloxy]-2-(tetracosanoyloxy)propoxy)phosphinic acid
PE-NMe(18:1(11Z)/24:0)

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: 813.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±6.0 kJ/mol
Flash Point: 445.7±37.1 °C
Index of Refraction: 1.475
Molar Refractivity: 243.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 18.73
ACD/LogD (pH 5.5): 13.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.73
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: 36.9±3.0 dyne/cm
Molar Volume: 865.0±3.0 cm3

Click to predict properties on the Chemicalize site


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