ChemSpider 2D Image | PG(16:1(9Z)/20:3(5Z,8Z,11Z)) | C42H75O10P

PG(16:1(9Z)/20:3(5Z,8Z,11Z))

  • Molecular FormulaC42H75O10P
  • Average mass771.013 Da
  • Monoisotopic mass770.509766 Da
  • ChemSpider ID24768092

  • 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

(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (7Z,19R,25S)-22,25,26-trihydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacos-7-én-19-yle [French] [ACD/IUPAC Name]
(7Z,19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacos-7-en-19-yl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(7Z,19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacos-7-en-19-yl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
PG(16:1(9Z)/20:3(5Z,8Z,11Z))
(2S)-2,3-dihydroxypropoxy(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxyphosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid
1-(9Z-Hexadecenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-glycerol)
1-Palmitoleoyl-2-meadoyl-sn-glycero-3-phosphoglycerol
GPG(16:1/20:3)
More...

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: 1.1±0.1 g/cm3
Boiling Point: 795.3±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: 434.8±35.7 °C
Index of Refraction: 1.499
Molar Refractivity: 215.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.04
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 27101.71
ACD/KOC (pH 5.5): 5507.38
ACD/LogD (pH 7.4): 7.14
ACD/BCF (pH 7.4): 22922.75
ACD/KOC (pH 7.4): 4658.17
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 733.4±3.0 cm3

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