ChemSpider 2D Image | (20Z,23Z,26Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacosa-20,23,26-trien-9-yl icosanoate | C44H82NO8P

(20Z,23Z,26Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-20,23,26-trien-9-yl icosanoate

  • Molecular FormulaC44H82NO8P
  • Average mass784.097 Da
  • Monoisotopic mass783.577820 Da
  • ChemSpider ID74850105

  • Double-bond stereo - Double-bond stereo

More details:

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

(20Z,23Z,26Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-20,23,26-trien-9-yl icosanoate [ACD/IUPAC Name]
(20Z,23Z,26Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-20,23,26-trien-9-yl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Icosanoate de (20Z,23Z,26Z)-6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-20,23,26-trién-9-yle [French] [ACD/IUPAC Name]
[2-(icosanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
2-(icosanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(18:3(9Z,12Z,15Z)/20:0)

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: 777.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.1±6.0 kJ/mol
Flash Point: 424.0±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 225.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.41
ACD/LogD (pH 5.5): 10.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 880426.44
ACD/LogD (pH 7.4): 10.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 860665.69
Polar Surface Area: 130 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 786.2±3.0 cm3

Click to predict properties on the Chemicalize site


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