ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-9-(stearoyloxy)-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C45H84NO8P

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

  • Molecular FormulaC45H84NO8P
  • Average mass798.124 Da
  • Monoisotopic mass797.593445 Da
  • ChemSpider ID74851060

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z)-5,8,11-Icosatriénoate de 6-hydroxy-2-méthyl-6-oxydo-9-(stearoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, 3-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
6-Hydroxy-2-methyl-6-oxido-9-(stearoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-9-(stearoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(octadecanoyloxy)propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(octadecanoyloxy)propoxy)phosphinic acid
PE-NMe2(20:3(5Z,8Z,11Z)/18:0)

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: 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: 16.02
ACD/LogD (pH 5.5): 11.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3264293.25
ACD/LogD (pH 7.4): 11.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3047508.25
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

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