ChemSpider 2D Image | (22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacos-22-en-9-yl (15Z)-15-tetracosenoate | C48H92NO8P

(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl (15Z)-15-tetracosenoate

  • Molecular FormulaC48H92NO8P
  • Average mass842.220 Da
  • Monoisotopic mass841.656067 Da
  • ChemSpider ID74850009
  • Double-bond stereo - Double-bond stereo


More details:






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

(15Z)-15-Tétracosénoate de (22Z)-6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-én-9-yle [French] [ACD/IUPAC Name]
(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (15Z)- [ACD/Index Name]
[2-(methylamino)ethoxy]({3-[(11Z)-octadec-11-enoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy})phosphinic acid
2-(methylamino)ethoxy(3-[(11Z)-octadec-11-enoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy)phosphinic acid
PE-NMe(18:1(11Z)/24:1(15Z))

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 12.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8790433.00
ACD/LogD (pH 7.4): 12.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8593135.00
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

Click to predict properties on the Chemicalize site






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