ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahexacosan-9-yl (9Z,12Z)-9,12-octadecadienoate | C40H76NO8P

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

  • Molecular FormulaC40H76NO8P
  • Average mass730.007 Da
  • Monoisotopic mass729.530884 Da
  • ChemSpider ID74850708

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-9,12-Octadécadiénoate de 6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahexacosan-9-yle [French] [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahexacosan-9-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahexacosan-9-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(pentadecanoyloxy)propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(pentadecanoyloxy)propoxy)phosphinic acid
PE-NMe2(15:0/18:2(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: 734.5±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: 398.0±35.7 °C
Index of Refraction: 1.482
Molar Refractivity: 206.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.93
ACD/LogD (pH 5.5): 9.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 376818.16
ACD/LogD (pH 7.4): 9.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 351794.44
Polar Surface Area: 121 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 725.0±3.0 cm3

Click to predict properties on the Chemicalize site


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