ChemSpider 2D Image | 6-Hydroxy-2-methyl-9-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C47H74NO8P

6-Hydroxy-2-methyl-9-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC47H74NO8P
  • Average mass812.066 Da
  • Monoisotopic mass811.515198 Da
  • ChemSpider ID74851374

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de 6-hydroxy-2-méthyl-9-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 3-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
6-Hydroxy-2-methyl-9-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-9-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy)phosphinic acid

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: 793.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 433.5±35.7 °C
Index of Refraction: 1.519
Molar Refractivity: 239.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 12.79
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 30700.40
ACD/KOC (pH 5.5): 11036.78
ACD/LogD (pH 7.4): 6.97
ACD/BCF (pH 7.4): 28661.33
ACD/KOC (pH 7.4): 10303.74
Polar Surface Area: 121 Å2
Polarizability: 94.9±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 789.5±3.0 cm3

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