ChemSpider 2D Image | 6-Hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl docosanoate | C46H86NO8P

6-Hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl docosanoate

  • Molecular FormulaC46H86NO8P
  • Average mass812.151 Da
  • Monoisotopic mass811.609131 Da
  • ChemSpider ID74850389

  • Double-bond stereo - Double-bond stereo

More details:

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

6-Hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl docosanoate [ACD/IUPAC Name]
6-Hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 6-hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
Docosanoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
[3-(docosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
3-(docosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(22:0/18:3(9Z,12Z,15Z))

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: 16.47
ACD/LogD (pH 5.5): 11.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2431799.00
ACD/LogD (pH 7.4): 11.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2377218.25
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

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