ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl docosanoate | C45H84NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl docosanoate

  • Molecular FormulaC45H84NO8P
  • Average mass798.124 Da
  • Monoisotopic mass797.593445 Da
  • ChemSpider ID24768938

  • 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-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl docosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(docosanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid
1-Behenoyl-2-g-linolenoyl-sn-glycero-3-phosphoethanolamine
1-Behenoyl-2-γ-linolenoyl-sn-glycero-3-phosphoethanolamine
1-docosanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-(docosanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid
GPEtn(22:0/18:3)
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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: 794.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 434.0±35.7 °C
Index of Refraction: 1.488
Molar Refractivity: 229.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.31
ACD/LogD (pH 5.5): 11.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2636195.25
ACD/LogD (pH 7.4): 11.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2123774.50
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 797.6±3.0 cm3

Click to predict properties on the Chemicalize site


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