ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C42H78NO8P

6-Hydroxy-2-methyl-6-oxido-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC42H78NO8P
  • Average mass756.044 Da
  • Monoisotopic mass755.546509 Da
  • ChemSpider ID74851085

  • Double-bond stereo - Double-bond stereo

More details:

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

(8Z,11Z,14Z)-8,11,14-Icosatriénoate de 6-hydroxy-2-méthyl-6-oxydo-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-9-(pentadecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 3-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxopentadecyl)oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-(pentadecanoyloxy)propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-(pentadecanoyloxy)propoxy)phosphinic acid
PE-NMe2(20:3(8Z,11Z,14Z)/15:0)

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: 752.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 408.8±35.7 °C
Index of Refraction: 1.486
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.31
ACD/LogD (pH 5.5): 9.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 386274.41
ACD/LogD (pH 7.4): 9.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 360622.72
Polar Surface Area: 121 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 751.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement