ChemSpider 2D Image | 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol | C49H85O13P

1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol

  • Molecular FormulaC49H85O13P
  • Average mass913.165 Da
  • Monoisotopic mass912.572754 Da
  • ChemSpider ID58145717

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-[(11Z)-11-icosenoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-[(11Z)-11-icosenoyloxy]propyl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-[(11Z)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol
8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]propyl ester, (8Z ,11Z,14Z,17Z)- [ACD/Index Name]
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-{[(11Z)-icos-11-enoyl]oxy}propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
1-(8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
1-Eicsoatetraenoyl-2-eicosenoyl-sn-glycero-3-phosphoinositol
Phosphatidylinositol(20:4/20:1)
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  • Miscellaneous

    • Chemical Class:

      A 1-phosphatidyl-1<stereo>D</stereo>-<stereo>myo</stereo>-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8<stereo>Z</stereo>,11<stereo>Z</stereo>,14<stereo>Z</st ereo>,17<stereo>Z</stereo>)-icosatetraenoyl and (11<stereo>Z</stereo>)-icosenoyl respectively. ChEBI CHEBI:89243
      A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and (11Z)-icosenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89243, CHEBI:89243

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

Density: 1.1±0.1 g/cm3
Boiling Point: 905.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.5±6.0 kJ/mol
Flash Point: 501.5±37.1 °C
Index of Refraction: 1.535
Molar Refractivity: 249.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 14.49
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 36715.41
ACD/KOC (pH 5.5): 6802.70
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 31715.51
ACD/KOC (pH 7.4): 5876.31
Polar Surface Area: 219 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 801.3±5.0 cm3

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