ChemSpider 2D Image | (17Z,20Z,23Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacosa-17,20,23-trien-9-yl docosanoate | C46H86NO8P

(17Z,20Z,23Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23-trien-9-yl docosanoate

  • Molecular FormulaC46H86NO8P
  • Average mass812.151 Da
  • Monoisotopic mass811.609131 Da
  • ChemSpider ID74850084

  • Double-bond stereo - Double-bond stereo

More details:

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

(17Z,20Z,23Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23-trien-9-yl docosanoate [ACD/IUPAC Name]
(17Z,20Z,23Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23-trien-9-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (17Z,20Z,23Z)-6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23-trién-9-yle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
[2-(docosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
2-(docosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(18:3(6Z,9Z,12Z)/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: 795.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 434.6±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 234.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.54
ACD/LogD (pH 5.5): 11.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5249017.00
ACD/LogD (pH 7.4): 11.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5131205.00
Polar Surface Area: 130 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 819.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement