ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl tetracosanoate | C47H92NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl tetracosanoate

  • Molecular FormulaC47H92NO7P
  • Average mass814.210 Da
  • Monoisotopic mass813.661133 Da
  • ChemSpider ID24769183

  • 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-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl tetracosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadécadién-1-yloxy]propyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]-3-(tetracosanoyloxy)propoxy]phosphinic acid
1-Lignoceroyl-2-(1-enyl-vaccenoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]-3-(tetracosanoyloxy)propoxyphosphinic acid
GPEtn(24:0/18:1)
GPEtn(24:0/18:1n7)
GPEtn(24:0/18:1w7)
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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: 806.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±6.0 kJ/mol
Flash Point: 441.7±37.1 °C
Index of Refraction: 1.481
Molar Refractivity: 238.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 19.01
ACD/LogD (pH 5.5): 13.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 127 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 839.9±3.0 cm3

Click to predict properties on the Chemicalize site


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