ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl (4E,7E,10Z,13Z,16E,19E)-4,7,10,13,16,19-docosahexaenoate | C41H70NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl (4E,7E,10Z,13Z,16E,19E)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC41H70NO8P
  • Average mass735.970 Da
  • Monoisotopic mass735.483887 Da
  • ChemSpider ID59699237

  • 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-(tetradecanoyloxy)propyl (4E,7E,10Z,13Z,16E,19E)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl-(4E,7E,10Z,13Z,16E,19E)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4E,7E,10Z,13Z,16E,19E)-4,7,10,13,16,19-Docosahexaénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (4E,7E,10Z,13Z,16E,19E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(docosa-4,7,10,13,16,19-hexaenoyloxy)-2-(tetradecanoyloxy)propoxy]phosphinic acid
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 757.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 412.0±35.7 °C
Index of Refraction: 1.505
Molar Refractivity: 211.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.27
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 150114.31
ACD/KOC (pH 5.5): 34351.86
ACD/LogD (pH 7.4): 7.81
ACD/BCF (pH 7.4): 120931.93
ACD/KOC (pH 7.4): 27673.82
Polar Surface Area: 144 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 712.4±3.0 cm3

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