ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(stearoyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate | C42H77O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(stearoyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate

  • Molecular FormulaC42H77O10P
  • Average mass773.029 Da
  • Monoisotopic mass772.525452 Da
  • ChemSpider ID59699571

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(stearoyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(stearoyloxy)propyl-(9E,12E,15E)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9E,12E,15E)-9,12,15-Octadécatriénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (9E,12E,15E)- [ACD/Index Name]
[(2S)-2,3-dihydroxypropoxy][(2R)-3-(octadeca-9,12,15-trienoyloxy)-2-(octadecanoyloxy)propoxy]phosphinic acid
PG(18:3(9Z,12Z,15Z)/18:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 795.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 434.9±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 215.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.44
ACD/LogD (pH 5.5): 8.01
ACD/BCF (pH 5.5): 108246.02
ACD/KOC (pH 5.5): 14840.26
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 91547.72
ACD/KOC (pH 7.4): 12550.97
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 739.8±3.0 cm3

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