ChemSpider 2D Image | PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | C46H73O10P

PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

  • Molecular FormulaC46H73O10P
  • Average mass817.040 Da
  • Monoisotopic mass816.494141 Da
  • ChemSpider ID24768188

  • 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

(3Z,6Z,9Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosa-3,6,9-trien-21-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(3Z,6Z,9Z,21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosa-3,6,9-trien-21-yl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (3Z,6Z,9Z,21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosa-3,6,9-trién-21-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-2,3-dihydroxypropoxy(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid
1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-glycerol)
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1'-sn-glycerol)
1-a-Linolenoyl-2-docosahexaenoyl-sn-glycero-3-phosphoglycerol
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: 827.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.9±6.0 kJ/mol
Flash Point: 454.3±37.1 °C
Index of Refraction: 1.522
Molar Refractivity: 234.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.00
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 942.03
ACD/KOC (pH 5.5): 497.33
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 796.87
ACD/KOC (pH 7.4): 420.69
Polar Surface Area: 159 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 767.5±3.0 cm3

Click to predict properties on the Chemicalize site


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