ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (11Z)-11-icosenoate | C45H86NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (11Z)-11-icosenoate

  • Molecular FormulaC45H86NO8P
  • Average mass800.140 Da
  • Monoisotopic mass799.609131 Da
  • ChemSpider ID24768714

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11Z)-11-Icosénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2,3-bis[(11Z)-icos-11-enoyloxy]propoxy]phosphinic acid
1,2-di-(11Z-eicosenoyl)-sn-glycero-3-phosphoethanolamine
1,2-Dieicosenoyl-rac-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2,3-bis[(11Z)-icos-11-enoyloxy]propoxyphosphinic acid
GPEtn(20:1/20:1)
GPEtn(20:1n9/20:1n9)
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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: 794.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 434.3±35.7 °C
Index of Refraction: 1.483
Molar Refractivity: 229.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.92
ACD/LogD (pH 5.5): 11.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2867751.25
ACD/LogD (pH 7.4): 11.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2310361.25
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 804.0±3.0 cm3

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