ChemSpider 2D Image | 6-Hydroxy-2-methyl-9-[(9Z)-9-octadecenoyloxy]-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (11Z,14Z)-11,14-icosadienoate | C45H84NO8P

6-Hydroxy-2-methyl-9-[(9Z)-9-octadecenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC45H84NO8P
  • Average mass798.124 Da
  • Monoisotopic mass797.593445 Da
  • ChemSpider ID74851033
  • 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 6-hydroxy-2-méthyl-9-[(9Z)-9-octadecenoyloxy]-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, 3-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (11Z,14Z)- [ACD/Index Name]
6-Hydroxy-2-methyl-9-[(9Z)-9-octadecenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-9-[(9Z)-9-octadecenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy)phosphinic acid
PE-NMe2(20:2(11Z,14Z)/18:1(9Z))

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 10.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1304778.25
ACD/LogD (pH 7.4): 10.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1218130.50
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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