ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propyl phosphate | C44H78O10P

(2S)-2,3-Dihydroxypropyl (2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propyl phosphate

  • Molecular FormulaC44H78O10P
  • Average mass798.058 Da
  • Monoisotopic mass797.533813 Da
  • ChemSpider ID29368517

  • Charge - Charge

    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

(2S)-2,3-Dihydroxypropyl (2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propyl phosphate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propylphosphat [German] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, ion(1-), (5Z,8Z,11Z,14Z)- [ACD/Index Name]
Phosphate de (2S)-2,3-dihydroxypropyle et de (2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
(2S)-2,3-dihydroxypropyl (2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propyl phosphate
1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)
1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)
More...
  • Miscellaneous

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

Density:
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:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 13.94
ACD/LogD (pH 5.5): 8.58
ACD/BCF (pH 5.5): 294361.25
ACD/KOC (pH 5.5): 30368.23
ACD/LogD (pH 7.4): 8.51
ACD/BCF (pH 7.4): 248972.05
ACD/KOC (pH 7.4): 25685.58
Polar Surface Area: 161 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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