ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahexacosan-9-yl (11Z)-11-octadecenoate | C40H78NO8P

6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahexacosan-9-yl (11Z)-11-octadecenoate

  • Molecular FormulaC40H78NO8P
  • Average mass732.023 Da
  • Monoisotopic mass731.546509 Da
  • ChemSpider ID74850644

  • Double-bond stereo - Double-bond stereo

More details:

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

(11Z)-11-Octadécénoate de 6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahexacosan-9-yle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahexacosan-9-yl (11Z)-11-octadecenoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahexacosan-9-yl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({2-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propoxy)phosphinic acid
PE-NMe2(15:0/18:1(11Z))

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: 735.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 398.3±35.7 °C
Index of Refraction: 1.477
Molar Refractivity: 206.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.44
ACD/LogD (pH 5.5): 10.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 616355.31
ACD/LogD (pH 7.4): 10.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 575424.44
Polar Surface Area: 121 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 731.4±3.0 cm3

Click to predict properties on the Chemicalize site


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