ChemSpider 2D Image | PG(18:1(11Z)/20:3(8Z,11Z,14Z)) | C44H79O10P

PG(18:1(11Z)/20:3(8Z,11Z,14Z))

  • Molecular FormulaC44H79O10P
  • Average mass799.066 Da
  • Monoisotopic mass798.541077 Da
  • ChemSpider ID24768123

  • 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

(7Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-7-en-21-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(7Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacos-7-en-21-yl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (7Z,21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacos-7-én-21-yle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
PG(18:1(11Z)/20:3(8Z,11Z,14Z))
(2S)-2,3-dihydroxypropoxy(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxyphosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid
1-(11Z-Octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-glycerol)
1-Vaccenoyl-2-homo-g-linolenoyl-sn-glycero-3-phosphoglycerol
1-Vaccenoyl-2-homo-γ-linolenoyl-sn-glycero-3-phosphoglycerol
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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: 812.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.4±6.0 kJ/mol
Flash Point: 445.0±37.1 °C
Index of Refraction: 1.498
Molar Refractivity: 224.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 13.98
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 41824.79
ACD/KOC (pH 5.5): 7513.38
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 35372.95
ACD/KOC (pH 7.4): 6354.38
Polar Surface Area: 159 Å2
Polarizability: 89.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 766.4±3.0 cm3

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