ChemSpider 2D Image | (22Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacos-22-en-9-yl (11Z,14Z)-11,14-icosadienoate | C45H84NO8P

(22Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC45H84NO8P
  • Average mass798.124 Da
  • Monoisotopic mass797.593445 Da
  • ChemSpider ID74850811

  • Double-bond stereo - Double-bond stereo

More details:

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

(11Z,14Z)-11,14-Icosadiénoate de (22Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-én-9-yle [French] [ACD/IUPAC Name]
(22Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
(22Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (11Z,14Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid
PE-NMe2(18:1(11Z)/20:2(11Z,14Z))

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: 779.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 425.0±35.7 °C
Index of Refraction: 1.486
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 16.07
ACD/LogD (pH 5.5): 10.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 573440.88
ACD/LogD (pH 7.4): 10.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 535359.88
Polar Surface Area: 121 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 801.2±3.0 cm3

Click to predict properties on the Chemicalize site


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