ChemSpider 2D Image | 6-Hydroxy-2-methyl-9-[(9Z,12Z)-9,12-octadecadienoyloxy]-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (13Z,16Z)-13,16-docosadienoate | C47H86NO8P

6-Hydroxy-2-methyl-9-[(9Z,12Z)-9,12-octadecadienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC47H86NO8P
  • Average mass824.161 Da
  • Monoisotopic mass823.609131 Da
  • ChemSpider ID74851261

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z,16Z)-13,16-Docosadiénoate de 6-hydroxy-2-méthyl-9-[(9Z,12Z)-9,12-octadecadienoyloxy]-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 3-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
6-Hydroxy-2-methyl-9-[(9Z,12Z)-9,12-octadecadienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-9-[(9Z,12Z)-9,12-octadecadienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
PE-NMe2(22:2(13Z,16Z)/18:2(9Z,12Z))

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: 796.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 435.3±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 239.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.61
ACD/LogD (pH 5.5): 10.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1061730.63
ACD/LogD (pH 7.4): 10.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 991223.25
Polar Surface Area: 121 Å2
Polarizability: 94.8±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 827.8±3.0 cm3

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