ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (13Z,16Z)-13,16-docosadienoate | C43H82NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC43H82NO8P
  • Average mass772.087 Da
  • Monoisotopic mass771.577820 Da
  • ChemSpider ID24768994

  • 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

(13Z,16Z)-13,16-Docosadiénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(hexadecanoyloxy)propoxy]phosphinic acid
1-(13Z,16Z-docosadienoyl)-2-hexadecanoyl-glycero-3-phosphoethanolamine
1-Docosadienoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(hexadecanoyloxy)propoxyphosphinic acid
GPEtn(22:2/16:0)
GPEtn(22:2n6/16:0)
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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: 777.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 423.7±35.7 °C
Index of Refraction: 1.483
Molar Refractivity: 220.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.86
ACD/LogD (pH 5.5): 11.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1847674.25
ACD/LogD (pH 7.4): 10.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1488551.38
Polar Surface Area: 144 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 771.0±3.0 cm3

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