ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,9Z)-1,9-octadecadien-1-yloxy]propyl stearate | C41H80NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,9Z)-1,9-octadecadien-1-yloxy]propyl stearate

  • Molecular FormulaC41H80NO7P
  • Average mass730.050 Da
  • Monoisotopic mass729.567261 Da
  • ChemSpider ID24768491

  • 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,9Z)-1,9-octadecadien-1-yloxy]propyl stearate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,9Z)-1,9-octadecadien-1-yloxy]propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1Z,9Z)-1,9-octadecadien-1-yloxy]propyl ester [ACD/Index Name]
Stéarate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,9Z)-1,9-octadécadién-1-yloxy]propyle [French] [ACD/IUPAC Name]
(2-aminoethoxy)[(2R)-2-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid
1-Stearoyl-2-(1-enyl-oleoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-3-(octadecanoyloxy)propoxyphosphinic acid
GPEtn(18:0/18:1)
GPEtn(18:0/18:1n9)
GPEtn(18:0/18:1w9)
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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: 754.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 119.5±6.0 kJ/mol
Flash Point: 409.8±35.7 °C
Index of Refraction: 1.482
Molar Refractivity: 211.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.83
ACD/LogD (pH 5.5): 11.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1774563.88
ACD/LogD (pH 7.4): 10.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1436770.00
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 740.8±3.0 cm3

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