ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C45H82NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate

  • Molecular FormulaC45H82NO8P
  • Average mass796.108 Da
  • Monoisotopic mass795.577820 Da
  • ChemSpider ID24768780

  • 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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]propyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid
1-Meadoyl-2-eicosenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxyphosphinic acid
GPEtn(20:3/20:1)
GPEtn(20:3n9/20:1n9)
GPEtn(20:3w9/20:1w9)
More...

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: 793.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 433.7±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 229.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.84
ACD/LogD (pH 5.5): 10.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1036248.31
ACD/LogD (pH 7.4): 10.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 834823.44
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 791.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement