ChemSpider 2D Image | (22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacos-22-en-9-yl (13Z)-13-docosenoate | C46H88NO8P

(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl (13Z)-13-docosenoate

  • Molecular FormulaC46H88NO8P
  • Average mass814.167 Da
  • Monoisotopic mass813.624756 Da
  • ChemSpider ID74850002

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z)-13-Docosénoate 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 (13Z)-13-docosenoate [ACD/IUPAC Name]
(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
{2-[(13Z)-docos-13-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2-[(13Z)-docos-13-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(18:1(11Z)/22:1(13Z))

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: 795.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 435.0±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 234.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 17.15
ACD/LogD (pH 5.5): 11.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2535177.50
ACD/LogD (pH 7.4): 11.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2478276.50
Polar Surface Area: 130 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 825.6±3.0 cm3

Click to predict properties on the Chemicalize site


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