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ChemSpider 2D Image | Phosphatidylinositol 4,5-bisphosphate | C47H80O19P3

Phosphatidylinositol 4,5-bisphosphate

  • Molecular FormulaC47H80O19P3
  • Average mass1042.051 Da
  • Monoisotopic mass1041.453369 Da
  • ChemSpider ID21169207
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

1,2-Diacyl-sn-glycero-3-phospho-(1-D-myo-inositol 4,5-bisphosphate)
2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-3-(stearoyloxy)propyl (1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonatooxy)cyclohexyl phosphate [ACD/IUPAC Name]
2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-3-(stearoyloxy)propyl-(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonatooxy)cyclohexylphosphat [German] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, 2-[[hydroxy[[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, ion(5-), (5Z,8Z,11Z,1 4Z)- [ACD/Index Name]
Phosphate de 2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propyle et de (1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonatooxy)cyclohexyle [French] [ACD/IUPAC Name]
Phosphatidylinositol 4,5-bisphosphate [Wiki]

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

nchembio.79-comp20 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 1034.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.3±6.0 kJ/mol
Flash Point: 579.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 13.22
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 19.60
ACD/KOC (pH 5.5): 7.45
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site