ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C40H72NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC40H72NO8P
  • Average mass725.975 Da
  • Monoisotopic mass725.499573 Da
  • ChemSpider ID24768868

  • 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-(pentadecanoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxopentadecyl)oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(pentadecanoyloxy)propoxy]phosphinic acid
1-Eicsoate
1-Eicsoatetraenoyl-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
1-Eicsoic acid
2-aminoethoxy(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(pentadecanoyloxy)propoxyphosphinic acid
GPEtn(20:4/15:0)
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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: 749.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 407.0±35.7 °C
Index of Refraction: 1.495
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 12.90
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 278758.50
ACD/KOC (pH 5.5): 53500.61
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 224577.39
ACD/KOC (pH 7.4): 43101.93
Polar Surface Area: 144 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 708.7±3.0 cm3

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