ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9E,12E,15E)-9,12,15-octadecatrienoyloxy]propyl (9E,12E,15E)-9,12,15-octadecatrienoate | C42H71O10P

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

  • Molecular FormulaC42H71O10P
  • Average mass766.981 Da
  • Monoisotopic mass766.478455 Da
  • ChemSpider ID59699576

  • 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-[(9E,12E,15E)-9,12,15-octadecatrienoyloxy]propyl (9E,12E,15E)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9E,12E,15E)-9,12,15-octadecatrienoyloxy]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-[(9E,12E,15E)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1R)-1-[[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (9E,12E,15E,9'E,12'E,15'E)- [ACD/Index Name]
[(2R)-2,3-bis(octadeca-9,12,15-trienoyloxy)propoxy][(2S)-2,3-dihydroxypropoxy]phosphinic acid
PG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))

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

Density: 1.1±0.1 g/cm3
Boiling Point: 794.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±6.0 kJ/mol
Flash Point: 434.5±35.7 °C
Index of Refraction: 1.510
Molar Refractivity: 215.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 11.72
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 1043.53
ACD/KOC (pH 5.5): 535.15
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 882.55
ACD/KOC (pH 7.4): 452.60
Polar Surface Area: 159 Å2
Polarizability: 85.4±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 720.6±3.0 cm3

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